SCHEMBL5453745

SCHEMBL5453745

Cc1cc(-c2c(N)nc(N)nc2-c2cccc(F)c2)cc(C)n1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.65
ADORA1 P30542 7/20 0.65
ADORA2B P29275 4/20 0.49
CHUK O15111 1/20 0.43
DPP4 P27487 1/20 0.42
HEXA P06865 1/20 0.41
HEXB P07686 1/20 0.41
PIK3CD O00329 2/20 0.41

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
SCHEMBL5448755 0.82 ADORA2A (0.52) ADORA2AADORA1ADORA2BCHUKDPP4
SCHEMBL2326188 0.79 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL3455655 0.77 ADORA2B (0.47) ADORA2AADORA1ADORA2BPIK3CD
SCHEMBL5455467 0.77 ADORA1 (0.64) ADORA2AADORA1ADORA2B
SCHEMBL3455198 0.76 CHUK (0.47) ADORA2AADORA1ADORA2BCHUKDPP4
SCHEMBL1553887 0.76 ADORA2A (0.53) ADORA2AADORA1ADORA2B
SCHEMBL15791408 0.75 ADORA2A (0.59) ADORA2AADORA1
SCHEMBL5745564 0.73 ADORA2A (0.55) ADORA2AADORA1ADORA2B
SCHEMBL18748036 0.73 ADORA2A (0.57) ADORA2AADORA1ADORA2BCHUKDPP4
SCHEMBL9286817 0.72 ADORA2A (0.50) ADORA2AADORA1ADORA2BHEXAHEXB

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