SCHEMBL5453900

SCHEMBL5453900

CCNc1ncc(-c2ccnc(F)c2)c(-c2cccc(F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.42
MAPK14 Q16539 1/20 0.42
ADORA2B P29275 4/20 0.42
ADORA2A P29274 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
MAP4K4 O95819 1/20 0.41
USP2 O75604 7/20 0.39
CYP1A2 P05177 7/20 0.39
CASP1 P29466 7/20 0.39
CASP7 P55210 7/20 0.39
HIF1A Q16665 7/20 0.39
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 3/20 0.39
HPGD P15428 3/20 0.39
ALOX15 P16050 2/20 0.39
BRCA1 P38398 1/20 0.39

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
SCHEMBL5450282 0.91 WNT3A (0.45) ADORA1MAPK14ADORA2BADORA2AADORA3
SCHEMBL5448826 0.89 ADORA1 (0.53) ADORA1MAPK14ADORA2BADORA2AADORA3
SCHEMBL5452581 0.87 ADORA1 (0.48) ADORA1MAPK14ADORA2BADORA2AADORA3
SCHEMBL5455439 0.85 ADORA1 (0.45) ADORA1ADORA2BADORA2AADORA3MAP4K4
SCHEMBL5453865 0.84 ADORA1 (0.52) ADORA1MAPK14ADORA2BADORA2AADORA3
SCHEMBL5454640 0.81 CYP1A2 (0.41) ADORA1MAPK14ADORA2BADORA2AADORA3
SCHEMBL5451867 0.81 ADORA1 (0.48) ADORA1MAPK14ADORA2BADORA2AADORA3
SCHEMBL5459579 0.78 ADORA1 (0.55) ADORA1ADORA2BADORA2A
SCHEMBL5451373 0.76 ADORA1 (0.53) ADORA1MAPK14ADORA2BADORA2AADORA3
SCHEMBL5451352 0.76 WNT3A (0.51) ADORA1MAPK14ADORA2BADORA2AADORA3

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 3/4885MAPK14 4127/4885ADORA2B 1/4885
US-20040259865-A1 Pyrimidone compounds and pharmaceutical compositions containing the same ADORA2A, ADORA1, ADORA3 ADORA1 2/4885MAPK14 2463/4885ADORA2B 4/4885
US-20060270674-A1 Pharmaceutical composition promoting defecation ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885MAPK14 4127/4885ADORA2B 1/4885
US-20030171383-A1 Medicinal compositions promoting bowel movement ADORA2A, ADORA3, ADORA2B ADORA1 4/4885MAPK14 2489/4885ADORA2B 3/4885

“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.