SCHEMBL10212445

SCHEMBL10212445

[C-]#[N+]C1=C(C)NC2=C(C(=O)CC2)C1c1ccc2[nH]ncc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.43
PLK4 O00444 1/20 0.39
ABCC9 O60706 9/20 0.37
ABCC8 Q09428 9/20 0.37
KCNJ11 Q14654 9/20 0.37
KCNJ8 Q15842 9/20 0.37
RPS6KB1 P23443 4/20 0.37
ROCK1 Q13464 4/20 0.37
RPS6KA1 Q15418 4/20 0.37
GRK2 P25098 1/20 0.36
GRK5 P34947 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL562367 0.82 MET (0.61) METABCC9ABCC8KCNJ11KCNJ8
SCHEMBL10212439 0.82 MET (0.44) METABCC9ABCC8KCNJ11KCNJ8
SCHEMBL10212435 0.80 ABCC9 (0.42) METABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9906873 0.77 MET (0.65) METROCK1KDM4E
SCHEMBL10212438 0.76 MET (0.43) METABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9906858 0.68 MET (0.48) METROCK1
SCHEMBL10212419 0.68 MET (0.45) METABCC9ABCC8KCNJ11KCNJ8
SCHEMBL10212464 0.67 MET (0.44) METABCC9ABCC8KCNJ11KCNJ8
SCHEMBL10212427 0.67 MET (0.44) METABCC9ABCC8KCNJ11KCNJ8
SCHEMBL1583361 0.66 MET (0.80) METROCK1KDM4E

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-8759341-B2 Bi- and tricyclic indazole-substituted 1,4-dihydropyridine derivatives and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-24 US disclosed
US-20120035409-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 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-20120035409-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF MET, RET, ERBB2 MET 1/4885PLK4 599/4885ABCC9 3756/4885

“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.