SCHEMBL4999675

SCHEMBL4999675

CC1=C(C#N)C(c2ccc(O)c(Cl)c2)C=C(C(F)(F)F)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.36
KDM4E B2RXH2 5/20 0.35
NR3C2 P08235 1/20 0.34
ALDH1A1 P00352 5/20 0.33
GAA P10253 1/20 0.33
KDM1A O60341 1/20 0.32
RPS6KA3 P51812 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
AR P10275 1/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DRD5 P21918 1/20 0.30
HTR2C P28335 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL13685506 0.76 KDM4E (0.52) METKDM4ENR3C2ALDH1A1GAA
SCHEMBL4996195 0.71 MET (0.47) METKDM4ENR3C2ALDH1A1GAA
SCHEMBL4994435 0.70 MET (0.41) METKDM4ENR3C2ALDH1A1GAA
SCHEMBL9906914 0.68 MET (0.35) METKDM4EALDH1A1RPS6KA3SMN1; SMN2
SCHEMBL4996768 0.67 MET (0.64) METKDM4EALDH1A1GAARPS6KA3
SCHEMBL5000246 0.67 MET (0.53) METKDM4EALDH1A1GAARPS6KA3
SCHEMBL4992251 0.66 MET (0.53) METKDM4EALDH1A1GAARPS6KA3
SCHEMBL4992255 0.65 MET (0.48) METKDM4EALDH1A1GAARPS6KA3
SCHEMBL5015309 0.65 MET (0.52) METKDM4EALDH1A1GAARPS6KA3
SCHEMBL4999668 0.65 MET (0.47) METKDM4EALDH1A1GAARPS6KA3

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 1/4885KDM4E 1582/4885NR3C2 3832/4885

“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.