SCHEMBL4988652

SCHEMBL4988652

CC1=C(C#N)C(c2ccc3[nH]nc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)c3c2)C(C#N)=C(C)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.43
MET P08581 3/20 0.42
RPS6KA3 P51812 1/20 0.42
RET P07949 3/20 0.42
ALK Q9UM73 1/20 0.42
LRRK2 Q5S007 1/20 0.41
TBK1 Q9UHD2 4/20 0.41
ALOX5 P09917 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
WNT3A P56704 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CNR1 P21554 1/20 0.38
DRD5 P21918 1/20 0.38
HTR2C P28335 1/20 0.38
HTR6 P50406 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL2009315 0.88 MET (0.46) METRPS6KA3LRRK2MAPTALDH1A1
SCHEMBL9888358 0.84 MET (0.43) METRPS6KA3TBK1MAPTALDH1A1
SCHEMBL4995102 0.84 JAK2 (0.52) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL4997542 0.83 MET (0.49) METRPS6KA3LRRK2MAPTALDH1A1
SCHEMBL4997596 0.81 MET (0.45) METRPS6KA3LRRK2DRD5HTR2C
SCHEMBL4989299 0.79 CNR1 (0.45) METRPS6KA3GPR119CNR1
SCHEMBL13685579 0.76 MET (0.52) METRPS6KA3MAPTALDH1A1DRD5
SCHEMBL2011958 0.75 MET (0.48) METRPS6KA3LRRK2DRD5HTR2C
SCHEMBL4995162 0.74 MET (0.59) METRPS6KA3LRRK2MAPTALDH1A1
SCHEMBL2011358 0.74 MET (0.45) METRPS6KA3LRRK2MAPTALDH1A1

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 EGLN2 1144/4885MET 1/4885RPS6KA3 146/4885

“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.