SCHEMBL19211624

SCHEMBL19211624

[CH2]c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCC=C)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CASP1 P29466 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 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
SCHEMBL21858972 1.00 HTT (0.41) HTTBACE1MEN1KMT2ALMNA
SCHEMBL19239617 0.89 BACE1 (0.40) HTTBACE1MEN1KMT2ALMNA
SCHEMBL12245284 0.89 BACE1 (0.40) HTTBACE1MEN1KMT2ALMNA
SCHEMBL22283040 0.89 BACE1 (0.40) HTTBACE1MEN1KMT2ALMNA
SCHEMBL22283041 0.89 BACE1 (0.40) HTTBACE1MEN1KMT2ALMNA
SCHEMBL16500043 0.88 HTT (0.39) HTTBACE1MEN1KMT2ALMNA
SCHEMBL2560115 0.88 HTT (0.39) HTTBACE1MEN1KMT2ALMNA
SCHEMBL17196627 0.86 MEN1 (0.45) HTTBACE1MEN1KMT2ALMNA
SCHEMBL17918547 0.86 MEN1 (0.43) HTTBACE1MEN1KMT2ALMNA
SCHEMBL29895834 0.82 BACE1 (0.37) HTTBACE1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20240002379-A1 ASYMMETRIC CONJUGATE COMPOUNDS PHEON THERAPEUTICS LTD (GB) 2024-01-04 — — US disclosed
WO-2023173096-A1 PYRROLOBENZODIAZEPINE INTERMEDIATES AND USES THEREOF SIGMA-ALDRICH CO. LLC (US) 2023-09-14 — — WO disclosed
EP-3458069-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS INC (US) 2023-07-05 — — EP disclosed
US-20230143309-A1 PYRROLOBENZODIAZEPINE ANTIBODY CONJUGATES MEDIMMUNE LIMITED (GB) 2023-05-11 — — US disclosed
US-11524969-B2 Pyrrolobenzodiazepines and conjugates thereof as antitumour agents MEDIMMUNE LIMITED (GB) 2022-12-13 — — US disclosed
US-11517626-B2 Pyrrolobenzodiazepine antibody conjugates MEDIMMUNE LIMITED (GB) 2022-12-06 — — US disclosed
EP-3612537-B1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LTD (GB) 2022-07-13 — — EP disclosed
US-11370801-B2 Pyrrolobenzodiazepine conjugates MEDIMMUNE LIMITED (GB) 2022-06-28 — — US disclosed
CN-108463253-B Pyrrolobenzodiazepine conjugates 麦迪穆有限责任公司 2022-03-04 — — CN disclosed
US-20180291021-A1 PDD COMPOUNDS PHEON THERAPEUTICS LTD (GB) 2018-10-11 — — US disclosed
CN-108463253-A Pyrrolobenzodiazepines * conjugates 麦迪穆有限责任公司 2018-08-28 — — CN disclosed
CN-104837502-B Pyrrolobenzodiazepines and conjugates thereof 麦迪穆有限责任公司 2018-08-10 — — CN disclosed
US-20180177795-A1 ISOQUINOLIDINOBENZODIAZEPINE (IQB)-1(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE (CBI) DIMERS CELLERANT THERAPEUTICS, INC. 2018-06-28 — — US disclosed
WO-2018069490-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2018-04-19 — — WO disclosed
US-20170340752-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2017-11-30 — — US disclosed
WO-2017201132-A2 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. (US) 2017-11-23 — — WO disclosed
US-20170333442-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2017-11-23 — — US disclosed
WO-2017137553-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUME LIMITED (GB) 2017-08-17 — — WO disclosed
WO-2017137556-A1 PYRROLOBENZODIAZEPINE ANTI-HER2 ANTIBODY CONJUGATES ADC THERAPEUTICS SA (CH) 2017-08-17 — — WO 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 (10 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-20180177795-A1 ISOQUINOLIDINOBENZODIAZEPINE (IQB)-1(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE (CBI) DIMERS BCL6B, HTR2B, IDO1 HTT 1009/4885BACE1 1366/4885MEN1 2879/4885
US-11524969-B2 Pyrrolobenzodiazepines and conjugates thereof as antitumour agents PBRM1, HDAC6, NPM1 HTT 2272/4885BACE1 4096/4885MEN1 977/4885
US-20170333442-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B HTT 1294/4885BACE1 3822/4885MEN1 3027/4885
US-20240002379-A1 ASYMMETRIC CONJUGATE COMPOUNDS TUBA1C, MTX2, CCNO HTT 3874/4885BACE1 2819/4885MEN1 2682/4885
US-11370801-B2 Pyrrolobenzodiazepine conjugates NR0B2, HRH3, NR0B1 HTT 1179/4885BACE1 3031/4885MEN1 2980/4885
US-20180291021-A1 PDD COMPOUNDS DRD1, DRD3, DRD2 HTT 2338/4885BACE1 2908/4885MEN1 2579/4885
US-20230143309-A1 PYRROLOBENZODIAZEPINE ANTIBODY CONJUGATES CD79B, H1-10, DRD1 HTT 3365/4885BACE1 1980/4885MEN1 1578/4885
US-11517626-B2 Pyrrolobenzodiazepine antibody conjugates CD79B, DRD1, H1-10 HTT 3680/4885BACE1 1711/4885MEN1 1532/4885
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines MKI67, CCND2, CCND1 HTT 3377/4885BACE1 2243/4885MEN1 2336/4885
US-20170340752-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD22, GABRA1, CCNB1 HTT 4023/4885BACE1 1497/4885MEN1 1037/4885

“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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