SCHEMBL2033252

SCHEMBL2033252

Cc1ccncc1NC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 7/20 0.50
SIRT3 Q9NTG7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 2/20 0.48
GSK3B P49841 1/20 0.48
GSK3A P49840 1/20 0.47
ATR Q13535 2/20 0.44
KDM6B O15054 3/20 0.44
KDM4D Q6B0I6 2/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
IMPDH2 P12268 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM4A O75164 1/20 0.42
KDM5C P41229 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42

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
SCHEMBL30600744 1.00 KDM4C (0.50) KDM4CSIRT3TDP1MAPTGSK3B
Acetic Acid SCHEMBL16795956 0.87 ALDH1A1 (0.52) KDM4CSIRT3TDP1MAPTGSK3B
SCHEMBL1637363 0.86 ALDH1A1 (0.55) KDM4CSIRT3TDP1MAPTGSK3B
SCHEMBL30418934 0.86 ALDH1A1 (0.55) KDM4CSIRT3TDP1MAPTGSK3B
SCHEMBL25046269 0.85 MAPT (0.46) KDM4CSIRT3TDP1MAPTGSK3B
SCHEMBL27684513 0.85 SIRT3 (0.55) KDM4CSIRT3TDP1MAPTGSK3B
SCHEMBL1043517 0.84 KDM4C (0.46) KDM4CSIRT3TDP1MAPTKDM6B
SCHEMBL692100 0.83 HPGD (0.49) KDM4CSIRT3TDP1MAPTGSK3B
SCHEMBL12320459 0.83 KDM4D (0.68) KDM4CMAPTGSK3BGSK3AKDM4D
SCHEMBL13475708 0.82 TSHR (0.49) KDM4CSIRT3TDP1MAPTGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
CN-112876410-A Preparation method of N- (4-methylpyridine-3-yl) methyl carbamate 南通雅本化学有限公司 2021-06-01 CN disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
EP-3515912-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES Centre National De La Recherche Scientifique (FR) 2019-07-31 EP disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed
US-9670160-B2 Process for the preparation of tofacitinib and intermediates thereof GLENMARK PHARMACEUTICALS LIMITED (IN) 2017-06-06 US disclosed
US-20150336961-A1 PROCESS FOR THE PREPARATION OF TOFACITINIB AND INTERMEDIATES THEREOF GLENMARK PHARMACEUTICALS LIMITED (IN) 2015-11-26 US disclosed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US disclosed
EP-2938616-A1 THE PRESENT INVENTION RELATES TO PROCESS FOR THE PREPARATION OF TOFACITINIB AND INTERMEDIATES THEREOF. Glenmark Pharmaceuticals Limited (IN) 2015-11-04 EP disclosed
EP-2702063-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-03-05 EP disclosed
US-20130345192-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2013-12-26 US disclosed
EP-2632898-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS Biogen Idec MA Inc. (US) 2013-09-04 EP disclosed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
CN-102803250-A 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 NOVARTIS AG 2012-11-28 CN disclosed
WO-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 WO disclosed
EP-2516436-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-10-31 EP disclosed
WO-2012058645-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2012-05-03 WO disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 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 (3 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-20150336961-A1 PROCESS FOR THE PREPARATION OF TOFACITINIB AND INTERMEDIATES THEREOF JAK2, JAK3, JAK1 KDM4C 461/4885SIRT3 2780/4885TDP1 3451/4885
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 KDM4C 1549/4885SIRT3 2665/4885TDP1 2768/4885
US-20130345192-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK KDM4C 1324/4885SIRT3 3078/4885TDP1 830/4885

“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.