SCHEMBL8018804

SCHEMBL8018804

CSc1nc(C)cc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
NOS3 P29474 2/20 0.48
NOS2 P35228 2/20 0.48
NOS1 P29475 1/20 0.48
POLB P06746 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
HSP90AB1 P08238 1/20 0.45
HTT P42858 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.41
RAB9A P51151 2/20 0.40
TERT O14746 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL30718977 1.00 KMT2A (0.49) KMT2AMEN1NOS3NOS2NOS1
SCHEMBL3625881 0.85 HSP90AB1 (0.46) KMT2AMEN1NOS3NOS2NOS1
SCHEMBL1885381 0.83 POLB (0.65) KMT2AMEN1POLBAPOBEC3GHSP90AB1
SCHEMBL21035298 0.80 NOS3 (0.46) KMT2AMEN1NOS3NOS2NOS1
SCHEMBL191585 0.76 KMT2A (0.49) KMT2AMEN1POLBHSP90AB1HTT
SCHEMBL30591631 0.76 HSP90AB1 (0.39) KMT2AMEN1NOS3NOS2NOS1
SCHEMBL163966 0.76 HSP90AB1 (0.39) KMT2AMEN1NOS3NOS2NOS1
SCHEMBL29368005 0.76 KMT2A (0.49) KMT2AMEN1POLBHSP90AB1HTT
SCHEMBL5766295 0.74 POLB (0.48) KMT2AMEN1POLBAPOBEC3GHSP90AB1
Hydrochloric Acid SCHEMBL11426179 0.74 KMT2A (0.47) KMT2AMEN1POLBHSP90AB1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018023-B2 Heterocondensed pyridones compounds and their use as IDH inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-06-25 US disclosed
US-12018023-B2 Heterocondensed pyridones compounds and their use as IDH inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-06-25 US disclosed
US-12018023-B2 Heterocondensed pyridones compounds and their use as IDH inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-06-25 US disclosed
CN-112469719-B Heterocondensed pyridone compounds and their use as IDH inhibitors 内尔维亚诺医疗科学公司 2024-01-23 CN disclosed
US-20230357255-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2023-11-09 US disclosed
US-11673894-B2 Imidazopyrimidines and triazolopyrimidines as A2A / A2B inhibitors INCYTE CORPORATION (US) 2023-06-13 US disclosed
EP-3797107-B1 HETEROCONDENSED PYRIDONE COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2022-08-10 EP disclosed
US-20210206759-A1 HETEROCONDENSED PYRIDONES COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2021-07-08 US disclosed
US-20210206759-A1 HETEROCONDENSED PYRIDONES COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2021-07-08 US disclosed
EP-3797107-A1 HETEROCONDENSED PYRIDONES COMPOUNDS AND THEIR USE AS IDH INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2021-03-31 EP disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-7998969-B2 enzyme inhibitors such as 4-[2-(1-Benzyl-piperidin-4-ylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile, used in combination with other viricides, for preventing and treatment of viral infections such as HIV, AIDS and AIDS related diseases ROCHE PALO ALTO LLC (US) 2011-08-16 US disclosed
US-20110112077-A1 Quinolizidinone m1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-05-12 US disclosed
US-20110112077-A1 Quinolizidinone m1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-05-12 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
WO-2009094279-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-07-30 WO disclosed
US-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-06-19 US disclosed
US-4565864-A INTERMEDIATES FOR BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1986-01-21 US disclosed
US-4503050-A BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1985-03-05 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 (8 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KMT2A 2017/4885MEN1 1802/4885NOS3 2046/4885
US-12018023-B2 Heterocondensed pyridones compounds and their use as IDH inhibitors IDH1, IDH2, IDH3A KMT2A 506/4885MEN1 1149/4885NOS3 1789/4885
US-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors NQO2, SAMHD1, POLR2A KMT2A 703/4885MEN1 4596/4885NOS3 290/4885
US-20230357255-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 KMT2A 1923/4885MEN1 3806/4885NOS3 2804/4885
US-20210206759-A1 HETEROCONDENSED PYRIDONES COMPOUNDS AND THEIR USE AS IDH INHIBITORS IDH1, IDH2, IDH3A KMT2A 506/4885MEN1 1149/4885NOS3 1789/4885
US-11673894-B2 Imidazopyrimidines and triazolopyrimidines as A2A / A2B inhibitors ADORA2A, ADORA2B, ADORA1 KMT2A 1923/4885MEN1 3806/4885NOS3 2804/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KMT2A 2017/4885MEN1 1802/4885NOS3 2046/4885
US-20110112077-A1 Quinolizidinone m1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, OPRL1 KMT2A 1726/4885MEN1 3473/4885NOS3 2539/4885

“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.