SCHEMBL9909088

SCHEMBL9909088

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
CDC7 O00311 1/20 0.39
TSHR P16473 1/20 0.38
DYRK1A Q13627 6/20 0.38
KDM4E B2RXH2 3/20 0.37
FLT3 P36888 1/20 0.37
YTHDC1 Q96MU7 1/20 0.37
STAT3 P40763 1/20 0.37
HIF1A Q16665 1/20 0.37
JAK1 P23458 1/20 0.37
KMT2A Q03164 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
PAK1 Q13153 1/20 0.36
WNT1 P04628 2/20 0.36
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 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
SCHEMBL4295771 0.90 CDC7 (0.47) PRKAG1PRKAA1PRKAB1CDC7TSHR
SCHEMBL4437501 0.85 PRKAA1 (0.43) PRKAG1PRKAA1PRKAB1CDC7TSHR
SCHEMBL9909089 0.80 PRKAG1 (0.39) PRKAG1PRKAA1PRKAB1CDC7TSHR
SCHEMBL953396 0.80 PRKAG1 (0.55) PRKAG1PRKAA1PRKAB1HAO1
SCHEMBL6195016 0.78 DYRK1A (0.44) PRKAG1PRKAA1PRKAB1DYRK1AKDM4E
SCHEMBL1141823 0.78 KDM4E (0.63) PRKAG1PRKAA1PRKAB1CDC7DYRK1A
SCHEMBL11970852 0.78 JAK1 (0.54) CDC7TSHRDYRK1AKDM4EFLT3
SCHEMBL19001429 0.78 YTHDC1 (0.63) DYRK1AFLT3YTHDC1JAK1PAK1
SCHEMBL4932564 0.76 PRKAG1 (0.45) PRKAG1PRKAA1PRKAB1DYRK1AKDM4E
SCHEMBL1141478 0.75 LRRK2 (0.42) PRKAG1PRKAA1PRKAB1DYRK1AKDM4E

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.