SCHEMBL9906871

SCHEMBL9906871

[C-]#[N+]C1=C(C)NC(c2ccc(NCCN(C)C)nc2)=C(C#N)C1c1ccc2[nH]ncc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 10/20 0.43
▸ TDO2 P48775 1/20 0.35
▸ PIM1 P11309 6/20 0.34
▸ PIM3 Q86V86 5/20 0.34
▸ PIM2 Q9P1W9 5/20 0.34
▸ CCNT1 O60563 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ PGK1 P00558 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.33

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
SCHEMBL2009988 0.91 MET (0.53) METTDO2PIM1PIM3PIM2
SCHEMBL9906858 0.83 MET (0.48) METDRD5HTR2CHTR6ROCK1
SCHEMBL9906873 0.77 MET (0.65) METROCK2ROCK1
SCHEMBL4999855 0.75 MET (0.48) METDRD5HTR2CHTR6EGFR
SCHEMBL4996832 0.73 MET (0.53) METDRD5HTR2CHTR6ROCK1
SCHEMBL9909087 0.72 MET (0.61) METPIM1GSK3BAURKBDRD5
SCHEMBL2009516 0.69 MET (0.67) METGSK3BCDK5CDK5R1DRD5
SCHEMBL4987926 0.69 MET (0.61) METPIM1GSK3AGSK3BCDK9
SCHEMBL4996162 0.68 MET (0.66) METPIM1GSK3BAURKBDRD5
SCHEMBL4996912 0.68 MET (0.62) METPIM1PIM3PIM2DRD5

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 1/4885TDO2 3101/4885PIM1 81/4885

“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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