SCHEMBL10212494

SCHEMBL10212494

[C-]#[N+]C1=C(c2ccc(Cl)cc2)NC2=C(C(=O)OC2)C1c1cc2cn[nH]c2cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.47
▸ TUBB4A P04350 2/20 0.41
▸ TUBB P07437 2/20 0.41
▸ TUBA3C P0DPH7 2/20 0.41
▸ TUBA1B P68363 2/20 0.41
▸ TUBA4A P68366 2/20 0.41
▸ TUBB4B P68371 2/20 0.41
▸ TUBB3 Q13509 2/20 0.41
▸ TUBB2A Q13885 2/20 0.41
▸ TUBB8 Q3ZCM7 2/20 0.41
▸ TUBA3E Q6PEY2 2/20 0.41
▸ TUBA1A Q71U36 2/20 0.41
▸ TUBA1C Q9BQE3 2/20 0.41
▸ TUBB6 Q9BUF5 2/20 0.41
▸ TUBB2B Q9BVA1 2/20 0.41
▸ TUBB1 Q9H4B7 2/20 0.41
▸ ABCC9 O60706 15/20 0.39
▸ KCNJ11 Q14654 15/20 0.39
▸ ABCC8 Q09428 10/20 0.39
▸ KCNJ8 Q15842 10/20 0.39

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
SCHEMBL10212500 0.93 MET (0.55) METTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10212490 0.91 MET (0.49) METTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL561796 0.85 MET (0.44) METTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10212499 0.81 MET (0.47) METTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL562093 0.69 MET (0.47) METTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10212475 0.68 MET (0.39) METTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10212467 0.68 MET (0.45) METTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10212489 0.65 MET (0.42) METTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11938837 0.64 MET (0.64) MET
SCHEMBL10212481 0.64 TUBB4A (0.43) METTUBB4ATUBBTUBA3CTUBA1B

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 1/4885TUBB4A 679/4885TUBB 605/4885

“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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