SCHEMBL13002010

SCHEMBL13002010

CCc1[nH]c(C(=O)N(CCOC)C2CN(c3nc(C)c(C(=O)O)s3)C2)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
ABCC2 Q92887 2/20 0.34
CRHR1 P34998 2/20 0.32

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
SCHEMBL2823383 0.91 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBABCC2
SCHEMBL2824283 0.91 PIK3CD (0.38) PIK3CDPIK3CAPIK3CB
SCHEMBL2827201 0.90 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBCRHR1
SCHEMBL2823407 0.85 PIK3CD (0.40) PIK3CDPIK3CAPIK3CB
SCHEMBL2822407 0.84 ALDH1A1 (0.38)
SCHEMBL2822543 0.83 ALDH1A1 (0.39)
SCHEMBL2826798 0.83 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBABCC2CRHR1
SCHEMBL2826105 0.82 PIK3CD (0.33) PIK3CDPIK3CBCRHR1
SCHEMBL2822336 0.82 ALDH1A1 (0.37)
SCHEMBL2821596 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP disclosed
WO-2009084614-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-09 WO 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 (2 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PIK3CD 2064/4885PIK3CA 2391/4885PIK3CB 1120/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PIK3CD 1120/4885PIK3CA 882/4885PIK3CB 551/4885

“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.