SCHEMBL4994686

SCHEMBL4994686

COc1cccc(-c2n[nH]c3ccc(C4C(C#N)=C(C)NC(C)=C4C#N)cc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.52
RPS6KA3 P51812 1/20 0.52
ALDH1A1 P00352 5/20 0.50
LRRK2 Q5S007 2/20 0.48
TTK P33981 1/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 5/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 3/20 0.45
DRD5 P21918 1/20 0.43
HTR2C P28335 1/20 0.43
HTR6 P50406 1/20 0.43
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL5000259 0.82 MAP2K4 (0.56) METRPS6KA3ALDH1A1LRRK2POLB
SCHEMBL4995162 0.82 MET (0.59) METRPS6KA3ALDH1A1LRRK2POLB
SCHEMBL4994416 0.81 MET (0.56) METRPS6KA3ALDH1A1POLBSMN1; SMN2
SCHEMBL1414931 0.80 MET (0.60) METRPS6KA3ALDH1A1LRRK2POLB
SCHEMBL3023520 0.78 ALDH1A1 (0.64) METRPS6KA3ALDH1A1POLBSMN1; SMN2
SCHEMBL4997309 0.78 MET (0.55) METRPS6KA3ALDH1A1LRRK2POLB
SCHEMBL2868413 0.78 LRRK2 (0.58) LRRK2TTKHPGDGAAMEN1
Bay-474 SCHEMBL4994862 0.78 MET (0.66) METRPS6KA3ALDH1A1POLBSMN1; SMN2
SCHEMBL1414765 0.78 MET (0.66) METRPS6KA3ALDH1A1POLBSMN1; SMN2
SCHEMBL4996214 0.77 MET (0.54) METRPS6KA3ALDH1A1POLBSMN1; 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 5 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 claimed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US claimed
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 146/4885ALDH1A1 1341/4885

“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.