SCHEMBL3266517

SCHEMBL3266517

O=C1c2ccccc2N=CC2CCCN12

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
SCHEMBL3269541 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536726-B1 DIARYL ETHER LINKED PYRROLO [2,1-C][1,4]BENZODIAZEPINE HYBRIDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2015-03-04 — — EP claimed
EP-2536726-A1 DIARYL ETHER LINKED PYRROLO [2,1-C][1,4]BENZODIAZEPINE HYBRIDS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2012-12-26 — — EP claimed
WO-2012110840-A1 DIARYL ETHER LINKED PYRROLO [2,1-C][1,4] BENZODIAZEPINE HYBRIDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-23 — — WO claimed
US-20240226320-A1 DRUG CONJUGATES WITH SELF-STABILIZING LINKERS HAVING IMPROVED PHYSIOCHEMICAL PROPERTIES SEAGEN INC (US) 2024-07-11 — — US disclosed
WO-2023227660-A1 NECTIN-4 BINDING AGENTS INNATE PHARMA (FR) 2023-11-30 — — WO disclosed
US-20230201366-A1 ANTI-PSMA CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2023-06-29 — — US disclosed
US-11377492-B2 NKp46 binding agents INNATE PHARMA (FR) 2022-07-05 — — US disclosed
WO-2022112356-A1 TREATMENT OF CANCER INNATE PHARMA (FR) 2022-06-02 — — WO disclosed
WO-2022097047-A1 TREATMENT METHODS USING ANTI-BCMA ANTIBODY-DRUG CONJUGATES MEDIMMUNE, LLC (US) 2022-05-12 — — WO disclosed
US-20210380605-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2021-12-09 — — US disclosed
US-11027021-B2 Combinations of PBD-based antibody drug conjugates with Bcl-2 inhibitors SEAGEN INC. (US) 2021-06-08 — — US disclosed
EP-1608650-B1 PYRENE-LINKED PYRROLO(2,1-C)(1,4)BENZODIAZEPINE DERIVATIVES USEFUL AS ANTICANCER AGENTS COUNCIL SCIENT IND RES (IN) 2010-06-02 — — EP disclosed
EP-1981889-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-10-22 — — EP 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
WO-2007085930-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-02 — — WO disclosed
EP-1720880-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 THEREOF AS WELL AS RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Spirogen Limited (GB) 2006-11-15 — — EP disclosed
WO-2005085250-A8 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 LTD (GB) 2005-10-27 — — WO disclosed
WO-2005085250-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) 2005-09-15 — — WO 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 (7 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-11377492-B2 NKp46 binding agents LY96, CD74, CD2BP2 ALDH1A1 2300/4885GAA 1250/4885HPGD 3544/4885
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-20240226320-A1 DRUG CONJUGATES WITH SELF-STABILIZING LINKERS HAVING IMPROVED PHYSIOCHEMICAL PROPERTIES CD44, CD47, UACA ALDH1A1 553/4885GAA 233/4885HPGD 3836/4885
US-20230201366-A1 ANTI-PSMA CONJUGATES KLK3, FOLH1, CD47 ALDH1A1 1358/4885GAA 232/4885HPGD 2982/4885
US-11027021-B2 Combinations of PBD-based antibody drug conjugates with Bcl-2 inhibitors BCL3, BAK1, MCL1 ALDH1A1 2142/4885GAA 3086/4885HPGD 2481/4885
US-20210380605-A1 PYRROLOBENZODIAZEPINE CONJUGATES PRLHR, GLRA1, CXCR1 ALDH1A1 1373/4885GAA 2691/4885HPGD 3346/4885

“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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