SCHEMBL578501

SCHEMBL578501

CCOC(=O)c1ccc2cncc(-c3ccc(O)c(F)c3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 11/20 0.44
CDK8 P49336 11/20 0.44
CYP1A2 P05177 1/20 0.40
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL578764 0.82 CCNC (0.56) CCNCCDK8ESR1ESR2
SCHEMBL12880298 0.74 CYP1A2 (0.54) CYP1A2GABRA2GABRB2ALDH1A1GAA
SCHEMBL578483 0.73 L3MBTL1 (0.37) CCNCCDK8ALDH1A1CYP11B1CYP11B2
SCHEMBL578394 0.72 CYP1A2 (0.51) CYP1A2GABRA2GABRB2ALDH1A1GAA
SCHEMBL1209954 0.72 CYP1A2 (0.51) CYP1A2GABRA2GABRB2ALDH1A1GAA
SCHEMBL15742765 0.72 CCNC (0.58) CCNCCDK8CYP11B1CYP11B2
Ethoxycarbonyl Group SCHEMBL27885040 0.72 RIPK1 (0.40) CCNCCDK8ESR1ESR2CYP11B1
SCHEMBL27885041 0.71 ESR2 (0.36) CCNCCDK8ESR1ESR2CYP11B1
SCHEMBL6939271 0.69 CA12 (0.59) CYP1A2ESR1ESR2CYP11B1CYP11B2
SCHEMBL15742884 0.69 CCNC (0.55) CCNCCDK8CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 EP disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 CCNC 1592/4885CDK8 2959/4885CYP1A2 4723/4885

“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.