SCHEMBL4996885

SCHEMBL4996885

CC1=C(C#N)C(c2ccc(-c3nn[nH]n3)cc2)C(C#N)=C(C)N1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.49
RPS6KA3 P51812 1/20 0.49
ADH5 P11766 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RPA1 P27694 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.43
DRD5 P21918 1/20 0.42
HTR2C P28335 1/20 0.42
HTR6 P50406 1/20 0.42
XDH P47989 5/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7817348 0.79 MET (0.59) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL7820657 0.74 KDM4E (0.61) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL10667172 0.71 CUL4A (0.57) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL7817770 0.71 MET (0.53) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL7814851 0.71 ALDH1A1 (0.60) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL9985391 0.71 ADH5 (0.67) ADH5TP53NPC1RAB9ANPSR1
SCHEMBL9984638 0.70 ADH5 (0.95) ADH5TP53NPC1RAB9ANPSR1
SCHEMBL7807153 0.70 MAPT (0.48) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL7814815 0.69 ALDH1A1 (0.62) METRPS6KA3SMN1; SMN2POLBMAPK1
SCHEMBL7806871 0.69 ALDH1A1 (0.53) METRPS6KA3SMN1; SMN2POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121608-B1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER IP GMBH (DE) 2012-11-14 EP disclosed
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 MET 1/4885RPS6KA3 146/4885ADH5 2843/4885

“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.