SCHEMBL2020981

SCHEMBL2020981

CC(C)c1[nH][nH]c(=O)c1-c1cn2c3c(cccc13)CCC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HPGD P15428 2/20 0.40
OPA1 O60313 1/20 0.40
EIF5B O60841 1/20 0.40
MET P08581 1/20 0.40
HMOX2 P30519 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MTNR1A P48039 7/20 0.40
MTNR1B P49286 7/20 0.40
KDM4E B2RXH2 1/20 0.36
PARP1 P09874 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
SCHEMBL2020595 0.81 HTR2A (0.42) HTR2AHTR2CHPGDOPA1EIF5B
SCHEMBL2020543 0.80 HSD17B10 (0.44) HTR2AHTR2CHPGDOPA1EIF5B
SCHEMBL2017958 0.79 HPGD (0.40) HTR2AHTR2CHPGDOPA1EIF5B
SCHEMBL2015129 0.79 OPA1 (0.41) HTR2AHTR2CHPGDOPA1EIF5B
SCHEMBL2015795 0.78 HTR2A (0.43) HTR2AHTR2CHPGDOPA1EIF5B
SCHEMBL2016690 0.77 GSK3B (0.40) HTR2AHTR2CHPGDOPA1EIF5B
SCHEMBL2020158 0.77 OPA1 (0.40) HTR2AHTR2CHPGDOPA1EIF5B
SCHEMBL2015557 0.77 OPA1 (0.41) HTR2AHTR2CHPGDOPA1EIF5B
SCHEMBL2018145 0.77 OPA1 (0.39) HTR2AHTR2CHPGDOPA1EIF5B
SCHEMBL2017097 0.75 OPA1 (0.39) HTR2AHTR2CHPGDOPA1EIF5B

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 HTR2A 1440/4885HTR2C 632/4885HPGD 39/4885

“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.