SCHEMBL9909089

SCHEMBL9909089

CN(O)C(=O)c1n[nH]c2ccc(C=O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
CDC7 O00311 1/20 0.38
KIF11 P52732 1/20 0.38
DYRK1A Q13627 6/20 0.37
TSHR P16473 1/20 0.37
NEK2 P51955 1/20 0.36
PLK1 P53350 1/20 0.36
TTK P33981 1/20 0.36
FLT3 P36888 1/20 0.36
JAK1 P23458 1/20 0.36
YTHDC1 Q96MU7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
STAT3 P40763 1/20 0.35
HIF1A Q16665 1/20 0.35
KMT2A Q03164 1/20 0.35
HAO1 Q9UJM8 2/20 0.35
PAK1 Q13153 1/20 0.35
WNT1 P04628 2/20 0.35

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
SCHEMBL4429972 0.85 PRKAA1 (0.41) PRKAG1PRKAA1PRKAB1CDC7KIF11
SCHEMBL1963276 0.81 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1KIF11TTK
SCHEMBL9909088 0.80 PRKAG1 (0.40) PRKAG1PRKAA1PRKAB1CDC7DYRK1A
SCHEMBL15653193 0.79 JAK1 (0.52) CDC7KIF11TSHRTTKFLT3
SCHEMBL4436081 0.79 KDM4E (0.60) PRKAG1PRKAA1PRKAB1CDC7KIF11
SCHEMBL1963000 0.76 KDM4E (0.43) PRKAG1PRKAA1PRKAB1CDC7KIF11
SCHEMBL6526757 0.74 JAK2 (0.55) CDC7KIF11DYRK1ATTKJAK1
SCHEMBL15651901 0.73 JAK1 (0.42) PRKAG1PRKAA1PRKAB1KIF11TSHR
SCHEMBL181661 0.72 KIF11 (0.46) KIF11TSHRTTKKDM4EKMT2A
SCHEMBL29955660 0.72 KIF11 (0.46) KIF11TSHRTTKKDM4EKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 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 (1 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-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET PRKAG1 187/4885PRKAA1 58/4885PRKAB1 152/4885

“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.