SCHEMBL10212435

SCHEMBL10212435

[C-]#[N+]C1=C(C)NC2=C(C1c1ccc3[nH]ncc3c1)S(=O)(=O)CC2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 18/20 0.42
ABCC8 Q09428 18/20 0.42
KCNJ11 Q14654 18/20 0.42
KCNJ8 Q15842 18/20 0.42
MET P08581 2/20 0.42

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
SCHEMBL562109 0.83 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8MET
SCHEMBL10212436 0.82 MET (0.43) ABCC9ABCC8KCNJ11KCNJ8MET
SCHEMBL10212445 0.80 MET (0.43) ABCC9ABCC8KCNJ11KCNJ8MET
SCHEMBL9906873 0.75 MET (0.65) MET
SCHEMBL9906858 0.67 MET (0.48) MET
SCHEMBL561467 0.65 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8MET
SCHEMBL562367 0.65 MET (0.61) ABCC9ABCC8KCNJ11KCNJ8MET
SCHEMBL1583361 0.65 MET (0.80) MET
SCHEMBL9906863 0.64 MET (0.46) MET
SCHEMBL10212419 0.63 MET (0.45) ABCC9ABCC8KCNJ11KCNJ8MET

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 ABCC9 3756/4885ABCC8 3709/4885KCNJ11 4372/4885

“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.