SCHEMBL9906887

SCHEMBL9906887

[C-]#[N+]C1=C(C)N(CCOC)C(C)=C(C#N)C1c1ccc2[nH]nc(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 18/20 0.41
▸ NR3C2 P08235 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4441951 0.91 MET (0.43) METNR3C2RPS6KA3KDM4EMEN1
SCHEMBL9906868 0.85 MET (0.45) METRPS6KA3
SCHEMBL9906859 0.80 MET (0.41) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL9906876 0.76 MET (0.53) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL4994801 0.76 MET (0.55) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL12415909 0.73 MET (0.48) METRPS6KA3ALDH1A1
SCHEMBL12386186 0.71 MET (0.58) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL2013526 0.70 MET (0.44) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL2015321 0.70 MET (0.44) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL12386187 0.70 MET (0.53) METRPS6KA3KDM4EALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885NR3C2 3832/4885RPS6KA3 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.

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