SCHEMBL5010358

SCHEMBL5010358

COc1nc(C)ccc1CN

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 10/20 0.51
PDCD1LG2 Q9BQ51 7/20 0.51
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
PDCD1 Q15116 3/20 0.42
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ATM Q13315 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL16093359 0.82 APOBEC3A (0.53) CD274PDCD1LG2APOBEC3AAPOBEC3GNPC1
SCHEMBL15831956 0.81 HSD17B10 (0.39) CD274PDCD1LG2APOBEC3AAPOBEC3GNPC1
SCHEMBL2029639 0.80 APOBEC3A (0.44) CD274PDCD1LG2APOBEC3AAPOBEC3GPDCD1
SCHEMBL2031694 0.80 KDM4E (0.47) CD274PDCD1LG2APOBEC3AAPOBEC3GPDCD1
SCHEMBL29555612 0.80 KDM4E (0.47) CD274PDCD1LG2APOBEC3AAPOBEC3GPDCD1
SCHEMBL5781489 0.80 APOBEC3A (0.44) CD274PDCD1LG2APOBEC3AAPOBEC3GPDCD1
SCHEMBL5010614 0.80 CD274 (0.51) CD274PDCD1LG2PDCD1NPC1RAB9A
SCHEMBL2547927 0.79 MEN1 (0.40) CD274PDCD1LG2APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL15831969 0.78 NOS3 (0.39) CD274PDCD1LG2APOBEC3AAPOBEC3GNPC1
SCHEMBL23398050 0.77 APOBEC3A (0.42) CD274PDCD1LG2APOBEC3AAPOBEC3GPDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-3356344-B1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY ASTEX THERAPEUTICS LTD (GB) 2022-11-16 EP disclosed
US-20220106287-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2022-04-07 US disclosed
US-11261171-B1 Isoindolinone inhibitors of the MDM2-P53 interaction having anticancer activity ASTEX THERAPEUTICS LIMITED (GB) 2022-03-01 US disclosed
EP-3177611-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2021-10-06 EP disclosed
US-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-23 US disclosed
US-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-23 US disclosed
US-20190055215-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2019-02-21 US disclosed
EP-3356344-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY Astex Therapeutics Ltd (GB) 2018-08-08 EP disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 US disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-4410532-A N-Substituted aziridine-2-carboxylic acid derivatives and their immuno-stimulation compositions and methods BOEHRINGER MANNHEIM GMBH (DE) 1983-10-18 US disclosed
US-4409236-A N-Substituted aziridine-2-carboxylic acid derivatives and immuno-stimulation composition and method BOEHRINGER MANNHEIM GMBH (DE) 1983-10-11 US disclosed
US-4321194-A N-Substituted aziridine-2-carboxylic acid derivatives for immuno stimulation BOEHRINGER MANNHEIM GMBH (DE) 1982-03-23 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-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases RORA, RORC, RORB CD274 1038/4885PDCD1LG2 1385/4885APOBEC3A 3687/4885
US-20220106287-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY TP53, MDM2, TP53BP1 CD274 1464/4885PDCD1LG2 1584/4885APOBEC3A 3652/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 CD274 2130/4885PDCD1LG2 1418/4885APOBEC3A 4858/4885
US-20190055215-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY TP53, MDM2, TP53BP1 CD274 1464/4885PDCD1LG2 1584/4885APOBEC3A 3652/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL CD274 4855/4885PDCD1LG2 4806/4885APOBEC3A 2268/4885
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC CD274 1519/4885PDCD1LG2 1666/4885APOBEC3A 2564/4885
US-11261171-B1 Isoindolinone inhibitors of the MDM2-P53 interaction having anticancer activity TP53, MDM2, TP53BP1 CD274 1464/4885PDCD1LG2 1584/4885APOBEC3A 3652/4885

“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.