SCHEMBL578476

SCHEMBL578476

Cn1ccc2cc(-c3cncc4ccc(C(N)=O)cc34)ccc21

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.60
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
CCNC P24863 8/20 0.49
CDK8 P49336 8/20 0.49
PIK3CD O00329 1/20 0.48
PIK3R1 P27986 1/20 0.48
SLC22A12 Q96S37 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13092050 0.86 CYP11B1 (0.49) ARCYP11B1CYP11B2CCNCCDK8
SCHEMBL10138319 0.78 SLC22A12 (0.54) ARCCNCCDK8SLC22A12
SCHEMBL10138336 0.78 SLC22A12 (0.54) ARCCNCCDK8SLC22A12
SCHEMBL8574795 0.77 AR (0.64) ARPIK3CDPIK3R1SMN1; SMN2
SCHEMBL30098896 0.77 AR (0.64) ARPIK3CDPIK3R1SMN1; SMN2
SCHEMBL578479 0.76 SLC22A12 (0.55) ARCCNCCDK8SLC22A12
SCHEMBL17437196 0.76 CCNC (0.76) CCNCCDK8
SCHEMBL10138572 0.76 SLC22A12 (0.49) ARCYP11B1CYP11B2CCNCCDK8
SCHEMBL578353 0.75 CHEK2 (0.55) ARCCNCCDK8SLC22A12
SCHEMBL578341 0.75 MAP4K4 (0.58) ARCCNCCDK8SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US claimed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US claimed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP claimed
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-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US 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
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 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 AR 877/4885CYP11B1 1332/4885CYP11B2 1520/4885

“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.