SCHEMBL10212422

SCHEMBL10212422

[C-]#[N+]C1=C(C)NC2=C(C(=O)OC2)C1c1ccc2[nH]nc(CC)c2c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ABCC9 O60706 10/20 0.38
KCNJ11 Q14654 10/20 0.38
ABCC8 Q09428 2/20 0.37
KCNJ8 Q15842 2/20 0.37
BRD4 O60885 1/20 0.35
BRDT Q58F21 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
SCHEMBL10212419 0.89 MET (0.45) METKDM4EALDH1A1ABCC9KCNJ11
SCHEMBL10212464 0.87 MET (0.44) METABCC9KCNJ11ABCC8KCNJ8
SCHEMBL561808 0.84 MET (0.43) METKDM4EALDH1A1ABCC9KCNJ11
SCHEMBL10212459 0.81 MAP2K4 (0.43) METKDM4EALDH1A1ABCC9KCNJ11
SCHEMBL10212485 0.80 PIM1 (0.40) METABCC9KCNJ11ABCC8KCNJ8
SCHEMBL10212503 0.78 MET (0.43) METKDM4EALDH1A1ABCC9KCNJ11
SCHEMBL10212460 0.77 MET (0.63) MET
SCHEMBL11938838 0.77 MET (0.66) METKDM4EALDH1A1
SCHEMBL10212458 0.77 MET (0.41) METKDM4EALDH1A1ABCC9KCNJ11
SCHEMBL10212470 0.76 MET (0.41) METABCC9KCNJ11ABCC8KCNJ8

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 1/4885KDM4E 1206/4885ALDH1A1 916/4885

“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.