SCHEMBL5451407

SCHEMBL5451407

Cc1cc(-c2cnc(N)nc2-c2cccc(F)c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.55
ADORA2A P29274 12/20 0.53
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
RPS6KA3 P51812 1/20 0.45
TDO2 P48775 1/20 0.43

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
SCHEMBL5455467 0.88 ADORA1 (0.64) ADORA1ADORA2ARPS6KA3
SCHEMBL5459579 0.88 ADORA1 (0.55) ADORA1ADORA2A
SCHEMBL5460965 0.87 ADORA1 (0.53) ADORA1ADORA2A
Ammonia Solution, Strong SCHEMBL5454694 0.86 ADORA1 (0.52) ADORA1ADORA2A
SCHEMBL28937364 0.86 ADORA1 (0.62) ADORA1ADORA2ARPS6KA3TDO2
SCHEMBL5447978 0.84 ADORA1 (0.69) ADORA1ADORA2AMAPK13MAPK12MAPK11
SCHEMBL5450282 0.80 WNT3A (0.45) ADORA1ADORA2AMAPK13MAPK12MAPK11
SCHEMBL5453709 0.79 ADORA1 (0.48) ADORA1ADORA2ARPS6KA3
SCHEMBL5451352 0.78 WNT3A (0.51) ADORA1ADORA2AMAPK14
SCHEMBL16404621 0.78 WNT3A (0.52) ADORA1ADORA2AMAPK13MAPK12MAPK11

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 2/4885MAPK13 4200/4885
US-20040259865-A1 Pyrimidone compounds and pharmaceutical compositions containing the same ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885MAPK13 3028/4885
US-20060270674-A1 Pharmaceutical composition promoting defecation ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885MAPK13 4244/4885
US-20030171383-A1 Medicinal compositions promoting bowel movement ADORA2A, ADORA3, ADORA2B ADORA1 4/4885ADORA2A 1/4885MAPK13 2449/4885

“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.