SCHEMBL422208

SCHEMBL422208

c1ccc2c(c1)cnn2-c1ncc2nc[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
PDE10A Q9Y233 10/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MGAM O43451 1/20 0.34

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
SCHEMBL183316 0.77 KDM4E (0.36) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL183189 0.72 KDM4E (0.36) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL16796145 0.71 MKNK1 (0.51) MKNK1MKNK2PDE10AKDM4EMAPK8
SCHEMBL19145047 0.70 PDE10A (0.45) MKNK1MKNK2PDE10AKDM4EMAPK8
SCHEMBL183274 0.69 KDM4E (0.39) GAAKDM4EALDH1A1
SCHEMBL30677255 0.69 KDM4E (0.39) GAAKDM4EALDH1A1
SCHEMBL22412415 0.69 PDE10A (0.36) MKNK1MKNK2PDE10AGAAALDH1A1
SCHEMBL29580100 0.69 PDE10A (0.36) MKNK1MKNK2PDE10AGAAALDH1A1
SCHEMBL28160619 0.68 MKNK1 (0.46) MKNK1MKNK2PDE10AGAAKDM4E
SCHEMBL19105560 0.67 PDE10A (0.42) MKNK1MKNK2PDE10AKDM4EMAPK8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408762-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-25 EP disclosed
US-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-12 US disclosed
WO-2011027081-A2 NOVEL DERIVATIVES OF 5,6,7,8-TETRAHYDROINDOLIZINE INHIBITING HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-10 WO disclosed
WO-2011004132-A1 NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 WO disclosed
WO-2010106290-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 WO 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-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 MKNK1 2132/4885MKNK2 1564/4885PDE10A 3702/4885

“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.