SCHEMBL15329012

SCHEMBL15329012

COCCn1c(C(=O)O)cc2cc(N)cc(Cl)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.41
SYK P43405 1/20 0.40
MCL1 Q07820 2/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PTGER4 P35408 2/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
HASPIN Q8TF76 1/20 0.35
LMNA P02545 2/20 0.34
CCR9 P51686 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 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
SCHEMBL15525100 0.86 SYK (0.53) SYKMCL1ALDH1A1KDM4EHPGD
SCHEMBL26581456 0.76 ALDH1A1 (0.40) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL26590807 0.74 ALDH1A1 (0.38) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24896363 0.73 SYK (0.42) CCR2SYKMCL1CCNCCDK8
SCHEMBL26581694 0.73 ALDH1A1 (0.44) CCR2MCL1ALDH1A1KDM4EHPGD
SCHEMBL26581713 0.72 CCR2 (0.37) CCR2SYKMCL1ALDH1A1KDM4E
SCHEMBL23809284 0.72 ALDH1A1 (0.38) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23809113 0.71 FABP3 (0.41) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23809215 0.70 ALDH1A1 (0.41) CCR2MCL1ALDH1A1KDM4EHPGD
SCHEMBL30547789 0.69 MEN1 (0.47) CCR2MCL1ALDH1A1KDM4EHPGD

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-9096579-B2 Amino-indolyl-substituted imidazolyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 US disclosed
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 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-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments INMT, IDO1, CHRM1 CCR2 669/4885SYK 87/4885MCL1 715/4885

“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.