SCHEMBL4999922

SCHEMBL4999922

CC1=C(C#N)C(c2ccc3[nH]nc(-c4ccc(N5CCN(C)CC5)nc4)c3c2)C(C#N)=C(C)N1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 4/20 0.48
▸ FLT3 P36888 4/20 0.48
▸ AURKA O14965 2/20 0.48
▸ MET P08581 3/20 0.47
▸ RPS6KA3 P51812 1/20 0.47
▸ AURKB Q96GD4 4/20 0.46
▸ KDR P35968 2/20 0.46
▸ ETV6 P41212 1/20 0.45
▸ LRRK2 Q5S007 2/20 0.44
▸ NTRK1 P04629 3/20 0.43
▸ ACVR1 Q04771 1/20 0.42
▸ DRD5 P21918 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ MAP4K1 Q92918 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ JAK2 O60674 1/20 0.41

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
SCHEMBL4995102 0.87 JAK2 (0.52) PLK4FLT3METRPS6KA3AURKB
SCHEMBL4992616 0.80 AXL (0.57) METRPS6KA3LRRK2NTRK1POLB
SCHEMBL4997542 0.79 MET (0.49) PLK4FLT3METRPS6KA3AURKB
SCHEMBL5000259 0.78 MAP2K4 (0.56) METRPS6KA3LRRK2NTRK1DRD5
SCHEMBL4994317 0.78 AURKB (0.46) PLK4FLT3METRPS6KA3AURKB
SCHEMBL4995162 0.77 MET (0.59) METRPS6KA3LRRK2DRD5HTR2C
SCHEMBL4994416 0.76 MET (0.56) METRPS6KA3NTRK1DRD5HTR2C
SCHEMBL2009315 0.76 MET (0.46) FLT3METRPS6KA3AURKBLRRK2
SCHEMBL1414765 0.75 MET (0.66) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL4988303 0.74 MET (0.53) METRPS6KA3LRRK2DRD5HTR2C

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 PLK4 1241/4885FLT3 47/4885AURKA 1333/4885

“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.

Send feedback