SCHEMBL9906863

SCHEMBL9906863

[C-]#[N+]C1=C(C)N2CCCCC2=C(C#N)C1c1ccc2[nH]ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 11/20 0.46
▸ ROCK2 O75116 4/20 0.33
▸ SLC6A2 P23975 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL9906865 0.91 MET (0.45) METROCK2SLC6A2SLC6A4SLC6A3
SCHEMBL2017154 0.89 MET (0.53) METROCK2SLC6A2SLC6A4SLC6A3
SCHEMBL4437443 0.83 MET (0.53) METROCK2SLC6A2SLC6A4SLC6A3
SCHEMBL9906873 0.76 MET (0.65) METROCK2KDM4EMEN1ALDH1A1
SCHEMBL12415909 0.71 MET (0.48) METALDH1A1
SCHEMBL4989667 0.71 MET (0.63) METROCK2SLC6A2SLC6A4SLC6A3
SCHEMBL12415911 0.71 MET (0.47) MET
SCHEMBL12415910 0.70 MET (0.47) METKDM4EALDH1A1
SCHEMBL13685437 0.70 MET (0.58) METROCK2SLC6A2SLC6A4SLC6A3
SCHEMBL12415915 0.69 MET (0.46) METALDH1A1RAB9ASMN1; 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 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 1/4885ROCK2 1282/4885SLC6A2 4058/4885

“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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