SCHEMBL3269541

SCHEMBL3269541

O=C1c2ccccc2N=C[C@@H]2CCCN12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ GAA P10253 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CDK4 P11802 2/20 0.37
▸ NOS1 P29475 1/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36
▸ GABRA1 P14867 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3266517 1.00 ALDH1A1 (0.41) ALDH1A1GAAHPGDHSD17B10CDK4
SCHEMBL5963318 0.83 GABRA1 (0.41) ALDH1A1GAAHPGDHSD17B10GABRA1
SCHEMBL5962947 0.80 CRBN (0.36) ALDH1A1GAAHPGDHSD17B10NOS1
SCHEMBL11458112 0.77 CDK5 (0.38) ALDH1A1GAAHPGDHSD17B10CDK4
SCHEMBL2600442 0.77 KMT2A (0.41) ALDH1A1HSD17B10GABRA1GABRG2GABRB3
SCHEMBL5962874 0.77 KMT2A (0.41) ALDH1A1HSD17B10GABRA1GABRG2GABRB3
SCHEMBL19339957 0.77 HTR2C (0.40) ALDH1A1HSD17B10GABRA1GABRG2GABRB3
SCHEMBL17915861 0.76 ERBB2 (0.36) HSD17B10GABRA1GABRG2GABRB3GABRA5
SCHEMBL16069934 0.75 GABRP (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19339958 0.74 MEN1 (0.38) ALDH1A1HSD17B10GABRA1GABRG2GABRB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550275-B1 PYRROLO[2,1-C][1,4]BENZODIAZEPINE-BENZOTHIAZOLE OR BENZOXAZOLE CONJUGATES LINKED THROUGH PIPERAZINE MOIETY AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2014-03-12 — — EP claimed
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines PHEON THERAPEUTICS LTD (GB) 2024-02-27 — — US disclosed
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines PHEON THERAPEUTICS LTD (GB) 2024-02-27 — — US disclosed
US-20230302142-A1 Cytotoxic Agents Pheon Therapeutics Ltd. (GB) 2023-09-28 — — US disclosed
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 — — US disclosed
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 — — US disclosed
US-20210206763-A1 Anti-Proliferative Agents PHEON THERAPEUTICS LTD (GB) 2021-07-08 — — US disclosed
US-20210107923-A1 CYTOTOXIC AGENTS PHEON THERAPEUTICS LTD (GB) 2021-04-15 — — US disclosed
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof MERSANA THERAPEUTICS, INC. (US) 2020-05-26 — — US disclosed
US-10399970-B2 Pyrridinobenzodiazepine and benzopyrridodiazecine compounds FEMTOGENIX LIMITED (GB) 2019-09-03 — — US disclosed
US-7429658-B2 Synthesis of protected pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-09-30 — — US disclosed
US-7429658-B2 Synthesis of protected pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-09-30 — — US disclosed
US-20080214525-A1 Alkyl 4- [4- (5-Oxo-2,3,5, 11A-Tetrahydo-5H-Pyrrolo [2, 1-C] [1,4] Benzodiazepine-8-Yloxy) -Butyrylamino]-1H-Pyrrole-2-Carboxylate Derivatives and Related Compounds For the Treatment of a Proliferative Disease SPIROGEN LIMITED (GB) 2008-09-04 — — US disclosed
US-7407951-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-08-05 — — US disclosed
WO-2008020456-A2 PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRIDS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-02-21 — — WO disclosed
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 — — US disclosed
US-20070191349-A1 C8, c8' linked 5-oxo-1,2,3,11a-tetrahydro-5h-pyrrolo[2,1-c][1,4] benzodiazepine dimers with 1h-pyrrole-dicarboxylic acid amide linkers and oligomeric analogs therof as well as related compounds for the treatment of proliferative diseases SPIROGEN LIMITED (GB) 2007-08-16 — — US disclosed
US-20070173497-A1 11-Hydroxy-5h-pyrrolo[2,1-c][1,4] benzodiazepin-5-one derivatives as key intermediates for the preparation of c2 substituted pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2007-07-26 — — US disclosed
US-6800622-B1 DNA BINDING, ANTITUMOUR ACTIVITY COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-05 — — US disclosed
US-20040192677-A1 PYRENE-LINKED PYRROLO[2,1--C][1,4]BENZODIAZEPINE HYBRIDS USEFUL AS ANTI-CANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2004-09-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040192677-A1 PYRENE-LINKED PYRROLO[2,1--C][1,4]BENZODIAZEPINE HYBRIDS USEFUL AS ANTI-CANCER AGENTS TOP2B, TOP1, PBRM1 ALDH1A1 1156/4885GAA 2928/4885HPGD 2272/4885
US-20070191349-A1 C8, c8' linked 5-oxo-1,2,3,11a-tetrahydro-5h-pyrrolo[2,1-c][1,4] benzodiazepine dimers with 1h-pyrrole-dicarboxylic acid amide linkers and oligomeric analogs therof as well as related compounds for the treatment of proliferative diseases TSPO, GABRD, BCOR ALDH1A1 1722/4885GAA 1738/4885HPGD 115/4885
US-20210206763-A1 Anti-Proliferative Agents CCND2, BRD2, DRD2 ALDH1A1 3187/4885GAA 1401/4885HPGD 691/4885
US-10399970-B2 Pyrridinobenzodiazepine and benzopyrridodiazecine compounds DRD1, XDH, DRD2 ALDH1A1 1156/4885GAA 4352/4885HPGD 169/4885
US-20210107923-A1 CYTOTOXIC AGENTS MKI67, TP53, NFATC1 ALDH1A1 1520/4885GAA 325/4885HPGD 2961/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 ALDH1A1 2474/4885GAA 2871/4885HPGD 4013/4885
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 ALDH1A1 538/4885GAA 1471/4885HPGD 1806/4885
US-20070173497-A1 11-Hydroxy-5h-pyrrolo[2,1-c][1,4] benzodiazepin-5-one derivatives as key intermediates for the preparation of c2 substituted pyrrolobenzodiazepines H1-10, DRD1, SBDS ALDH1A1 844/4885GAA 3850/4885HPGD 82/4885
US-20080214525-A1 Alkyl 4- [4- (5-Oxo-2,3,5, 11A-Tetrahydo-5H-Pyrrolo [2, 1-C] [1,4] Benzodiazepine-8-Yloxy) -Butyrylamino]-1H-Pyrrole-2-Carboxylate Derivatives and Related Compounds For the Treatment of a Proliferative Disease CCNY, NR0B1, CNR1 ALDH1A1 2826/4885GAA 3705/4885HPGD 2315/4885
US-20230302142-A1 Cytotoxic Agents ANXA11, ANXA5, HAX1 ALDH1A1 3438/4885GAA 3737/4885HPGD 4473/4885
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B ALDH1A1 1486/4885GAA 1088/4885HPGD 2230/4885
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines MKI67, CCND2, CCND1 ALDH1A1 443/4885GAA 1774/4885HPGD 264/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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