SCHEMBL2854420

SCHEMBL2854420

COC(=O)c1cc(C)nc(N2CCC(NC(=O)OCc3ccccc3)C(OC)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
SMPD3 Q9NY59 1/20 0.42
CPB1 P15086 2/20 0.41
OPRK1 P41145 7/20 0.40
TACR1 P25103 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 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
SCHEMBL2854421 1.00 PIK3CA (0.42) PIK3CAPIK3CBSMPD3CPB1OPRK1
SCHEMBL2843228 0.84 SMPD3 (0.43) SMPD3CPB1OPRK1TACR1CTSL
SCHEMBL2843226 0.84 SMPD3 (0.43) SMPD3CPB1OPRK1TACR1CTSL
SCHEMBL2824183 0.83 CPB1 (0.43) SMPD3CPB1OPRK1TACR1CTSL
SCHEMBL2851933 0.82 CA1 (0.44) SMPD3CPB1OPRK1CTSLCTSB
SCHEMBL2851928 0.82 CA1 (0.44) SMPD3CPB1OPRK1CTSLCTSB
SCHEMBL2849061 0.82 CPB1 (0.44) CPB1OPRK1CTSLCTSBCTSK
SCHEMBL2849059 0.82 CPB1 (0.44) CPB1OPRK1CTSLCTSBCTSK
SCHEMBL2846811 0.82 CPB1 (0.42) SMPD3CPB1OPRK1TACR1CTSL
SCHEMBL2846814 0.82 CPB1 (0.42) SMPD3CPB1OPRK1TACR1CTSL

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-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP 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

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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PIK3CA 2391/4885PIK3CB 1120/4885SMPD3 3900/4885

“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.