SCHEMBL2018145

SCHEMBL2018145

COc1ccc(-c2[nH][nH]c(=O)c2-c2cn3c4c(cccc24)CCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPA1 O60313 1/20 0.39
EIF5B O60841 1/20 0.39
MET P08581 1/20 0.39
HMOX2 P30519 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
GSK3B P49841 4/20 0.37
CDK2 P24941 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
SYK P43405 1/20 0.37
PIK3CG P48736 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL2017958 0.89 HPGD (0.40) OPA1EIF5BMETHMOX2KDM4E
SCHEMBL2020543 0.87 HSD17B10 (0.44) OPA1EIF5BMETHMOX2KDM4E
SCHEMBL2020158 0.87 OPA1 (0.40) OPA1EIF5BMETHMOX2KDM4E
SCHEMBL2026225 0.84 WDR5 (0.41) OPA1EIF5BMETHMOX2MAPT
SCHEMBL2015557 0.84 OPA1 (0.41) OPA1EIF5BMETHMOX2KDM4E
SCHEMBL2017097 0.81 OPA1 (0.39) OPA1EIF5BMETHMOX2KDM4E
SCHEMBL1395664 0.80 GSK3B (0.49) GSK3B
SCHEMBL2015795 0.79 HTR2A (0.43) OPA1EIF5BMETHMOX2KDM4E
SCHEMBL2016690 0.78 GSK3B (0.40) OPA1EIF5BMETHMOX2KDM4E
SCHEMBL2020981 0.77 HTR2A (0.42) OPA1EIF5BMETHMOX2KDM4E

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
US-8563567-B2 Substituted heterocyclic compounds ARQULE, INC. (US) 2013-10-22 US disclosed
US-8563567-B2 Substituted heterocyclic compounds ARQULE, INC. (US) 2013-10-22 US disclosed
WO-2011082266-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO disclosed
US-20110160237-A1 Substituted Heterocyclic Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160237-A1 Substituted Heterocyclic Compounds ARQULE, INC. (US) 2011-06-30 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-20110160237-A1 Substituted Heterocyclic Compounds MKI67, CCNC, NQO1 OPA1 769/4885EIF5B 1262/4885MET 536/4885

“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.