SCHEMBL4999750

SCHEMBL4999750

CC1=C(C#N)C(c2cccc(C(=O)NCCN(C)C)c2)C(C#N)=C(C)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
CSNK2A1 P68400 1/20 0.42
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
HTR6 P50406 2/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
LIMK2 P53671 1/20 0.40
GABRA1 P14867 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
ABL1 P00519 1/20 0.40
PARP1 P09874 1/20 0.39
GFER P55789 1/20 0.39
PRKD1 Q15139 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4994434 0.86 SMN1; SMN2 (0.43) MAPK1ALDH1A1SMN1; SMN2POLBGABRA1
SCHEMBL4988615 0.84 LMNA (0.46) MAPK1LMNASMN1; SMN2POLBGABRA1
SCHEMBL13685560 0.82 HDAC6 (0.47) MAPK1ALDH1A1SMN1; SMN2POLBGABRA1
SCHEMBL4436080 0.82 SMN1; SMN2 (0.46) MAPK1ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL4441872 0.82 MAPT (0.47) ALDH1A1TP53LMNASMN1; SMN2MAPT
SCHEMBL27780409 0.81 CYP1A2 (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL9888368 0.80 ITGB3 (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4999997 0.79 TDP1 (0.52) POLBMAPT
SCHEMBL4989580 0.79 EGLN1 (0.45) GABRA1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL4991223 0.79 MEN1 (0.49) SMN1; SMN2

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 MAP4K4 64/4885CSNK2A1 219/4885MAPK1 168/4885

“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.