SCHEMBL4999997

SCHEMBL4999997

CC1=C(C#N)C(c2cccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2)C(C#N)=C(C)N1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA1 P00915 7/20 0.52
CA2 P00918 7/20 0.52
CA9 Q16790 4/20 0.52
CA12 O43570 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 2/20 0.48
USP2 O75604 1/20 0.48
CA7 P43166 3/20 0.48
CA14 Q9ULX7 3/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL4996144 0.86 ROCK2 (0.52) POLB
SCHEMBL4994434 0.80 SMN1; SMN2 (0.43) TDP1L3MBTL1MEN1KMT2AMAPT
SCHEMBL4999750 0.79 MAP4K4 (0.43) MAPTPOLB
SCHEMBL4988615 0.79 LMNA (0.46) CA1CA2POLB
SCHEMBL4436080 0.76 SMN1; SMN2 (0.46) MAPTPOLB
SCHEMBL13685560 0.76 HDAC6 (0.47) MAPTPOLB
SCHEMBL4441872 0.76 MAPT (0.47) L3MBTL1MEN1KMT2AMAPT
SCHEMBL4989608 0.76 GAA (0.48) TSHRPOLB
SCHEMBL4443160 0.76 ROCK2 (0.56)
SCHEMBL9888387 0.74 ALDH1A1 (0.37) MAPTPOLB

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 TDP1 2437/4885L3MBTL1 2309/4885CA1 3884/4885

“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.