SCHEMBL4995669

SCHEMBL4995669

CC1=C(C#N)C(c2cccc(-c3cnn(Cc4ccccc4)c3)c2)C(C#N)=C(C)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
CREBBP Q92793 7/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNH2 Q12809 1/20 0.41
BRD4 O60885 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 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
SCHEMBL15344194 0.73 L3MBTL1 (0.71) L3MBTL1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL4988077 0.73 MAPK1 (0.55) L3MBTL1ALDH1A1MAPTKDM4EHPGD
SCHEMBL4996994 0.71 SMN1; SMN2 (0.51) ALDH1A1MAPTKDM4EHPGDCASP1
SCHEMBL983078 0.71 L3MBTL1 (0.71) L3MBTL1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL7815153 0.70 KDM4E (0.60) ALDH1A1MAPTKDM4EHPGDCASP1
SCHEMBL19065565 0.69 L3MBTL1 (0.58) L3MBTL1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL31489437 0.69 L3MBTL1 (0.71) L3MBTL1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL3037272 0.68 SMN1; SMN2 (0.53) ALDH1A1MAPTKDM4EHPGDCASP1
SCHEMBL15340955 0.68 L3MBTL1 (0.66) L3MBTL1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL4999830 0.68 SMN1; SMN2 (0.51) ALDH1A1MAPTKDM4EHPGDCASP1

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 L3MBTL1 2309/4885PIK3CD 638/4885PIK3CA 901/4885

“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.