SCHEMBL5458784

SCHEMBL5458784

CCNc1ncc(-c2ccncc2)c(-c2cccs2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.71
ADORA2A P29274 3/20 0.71
ALDH1A1 P00352 13/20 0.53
CYP1A2 P05177 12/20 0.53
USP2 O75604 11/20 0.53
CASP1 P29466 11/20 0.53
CASP7 P55210 11/20 0.53
HSD17B10 Q99714 11/20 0.53
MEN1 O00255 10/20 0.53
KMT2A Q03164 10/20 0.53
HIF1A Q16665 10/20 0.53
CYP3A4 P08684 10/20 0.53
CYP2C9 P11712 7/20 0.53
LMNA P02545 9/20 0.48
CYP2D6 P10635 7/20 0.48
TSHR P16473 7/20 0.48
CLK4 Q9HAZ1 6/20 0.48
HBB P68871 3/20 0.48
BRCA1 P38398 2/20 0.48
CYP2C19 P33261 3/20 0.47

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
SCHEMBL5451875 0.82 ADORA1 (0.57) ADORA1ADORA2AALDH1A1CYP1A2USP2
SCHEMBL7215273 0.77 PTGS2 (0.53) ADORA1ADORA2AALDH1A1CYP1A2USP2
SCHEMBL5448840 0.77 ADORA2B (0.52) ADORA1ADORA2ACLK4
SCHEMBL2986078 0.76 ADORA1 (0.56) ADORA1ADORA2AALDH1A1CYP1A2USP2
SCHEMBL5451849 0.76 ADORA1 (0.64) ADORA1ADORA2AALDH1A1MEN1KMT2A
SCHEMBL5448826 0.76 ADORA1 (0.53) ADORA1ADORA2AALDH1A1CYP1A2USP2
SCHEMBL5238815 0.71 ADORA1 (0.59) ADORA1ADORA2AALDH1A1USP2HSD17B10
SCHEMBL2971703 0.69 ADORA1 (0.49) ADORA1ADORA2AALDH1A1CYP1A2USP2
SCHEMBL3684480 0.69 ADORA2A (1.00) ADORA1ADORA2AALDH1A1CYP1A2USP2
SCHEMBL13202503 0.67 MEN1 (0.46) ADORA1ADORA2AALDH1A1CYP1A2USP2

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
US-7189717-B2 Medicinal compositions promoting bowel movement EISAI CO., LTD. (JP) 2007-03-13 US disclosed
US-20070054876-A1 Pharmaceutical composition promoting defecation YASUDA MASAHIRO 2007-03-08 US disclosed
US-20060270674-A1 Pharmaceutical composition promoting defecation YASUDA MASAHIRO 2006-11-30 US disclosed
EP-1510222-A2 Medicinal compositions promoting bowel movement Eisai Co. Ltd. (JP) 2005-03-02 EP disclosed
US-20040259865-A1 Pyrimidone compounds and pharmaceutical compositions containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-23 US disclosed
EP-1283056-B1 MEDICINAL COMPOSITIONS PROMOTING BOWEL MOVEMENT EISAI CO LTD (JP) 2004-12-15 EP disclosed
US-20030171383-A1 Medicinal compositions promoting bowel movement EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-09-11 US disclosed
EP-1283056-A1 MEDICINAL COMPOSITIONS PROMOTING BOWEL MOVEMENT Eisai Co., Ltd. (JP) 2003-02-12 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 (4 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-20070054876-A1 Pharmaceutical composition promoting defecation ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ALDH1A1 948/4885
US-20040259865-A1 Pyrimidone compounds and pharmaceutical compositions containing the same ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885ALDH1A1 612/4885
US-20060270674-A1 Pharmaceutical composition promoting defecation ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ALDH1A1 938/4885
US-20030171383-A1 Medicinal compositions promoting bowel movement ADORA2A, ADORA3, ADORA2B ADORA1 4/4885ADORA2A 1/4885ALDH1A1 1026/4885

“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.