SCHEMBL5456463

SCHEMBL5456463

Nc1ncc(-c2ccncc2)c(-c2ccc(O)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.74
ADORA2A P29274 7/20 0.74
KMT2A Q03164 4/20 0.56
GFER P55789 1/20 0.55
RPS6KA3 P51812 2/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
MAPK10 P53779 1/20 0.51
PTK2B Q14289 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL5449788 0.92 ADORA1 (0.87) ADORA1ADORA2AKMT2AGFERRPS6KA3
SCHEMBL7210550 0.86 ADORA1 (0.75) ADORA1ADORA2AKMT2ARPS6KA3MAPK10
SCHEMBL7222483 0.86 ADORA1 (0.75) ADORA1ADORA2AKMT2ARPS6KA3MAPK10
SCHEMBL10480093 0.85 ADORA1 (1.00) ADORA1ADORA2AKMT2AGFERCDK5
SCHEMBL5453984 0.85 ADORA1 (1.00) ADORA1ADORA2AKMT2AGFERCDK5
SCHEMBL5448851 0.82 KMT2A (0.86) ADORA1ADORA2AKMT2AMAPTTP53
SCHEMBL7462501 0.78 ADORA1 (0.60) ADORA1ADORA2AKMT2AMAPTTSHR
SCHEMBL7211815 0.76 MEN1 (0.54) ADORA1ADORA2AKMT2ARPS6KA3MAPT
SCHEMBL5453884 0.76 ADORA1 (0.70) ADORA1ADORA2AKMT2AMAPTTP53
SCHEMBL4582424 0.75 ADORA1 (0.83) ADORA1ADORA2AKMT2AGFERMAPT

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 2/4885KMT2A 2672/4885
US-20040259865-A1 Pyrimidone compounds and pharmaceutical compositions containing the same ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885KMT2A 2660/4885
US-20060270674-A1 Pharmaceutical composition promoting defecation ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885KMT2A 3131/4885
US-20030171383-A1 Medicinal compositions promoting bowel movement ADORA2A, ADORA3, ADORA2B ADORA1 4/4885ADORA2A 1/4885KMT2A 2494/4885

“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.