SCHEMBL5456531

SCHEMBL5456531

CCc1cnccc1-c1cnc(N)nc1-c1cc(C)oc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
ADORA1 P30542 2/20 0.35
ADORA2A P29274 1/20 0.35
GAA P10253 1/20 0.33
MAPK10 P53779 1/20 0.33
LRRK2 Q5S007 1/20 0.33
DHFR P00374 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL5446892 0.83 CCNC (0.34) MAPK1CCNCCDK8ADORA1ADORA2A
SCHEMBL5467866 0.75 ADORA2B (0.52) ADORA1ADORA2ACYP1A2CYP2E1CYP2C8
SCHEMBL5454611 0.74 ADORA1 (0.45) ADORA1ADORA2ADHFR
SCHEMBL12811202 0.64 CCNC (0.45) CCNCCDK8CYP1A2CYP2E1CYP2C8
SCHEMBL4544470 0.64 SGMS2 (0.40) MAPTCCNCCDK8CYP1A2CYP2E1
SCHEMBL11072269 0.63 CCNC (0.46) MAPTMAPK1CCNCCDK8GAA
SCHEMBL19441232 0.62 CYP2C19 (0.49) MAPTMAPK1CCNCCDK8GAA
SCHEMBL11374928 0.61 MAP4K1 (0.36) CCNCCDK8DHFR
SCHEMBL20035478 0.60 LIMK1 (0.46) CCNCCDK8
SCHEMBL4925137 0.60 DYRK1A (0.57) CDK5CDK5R1

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 LMNA 4475/4885MAPT 4735/4885MAPK1 4121/4885
US-20040259865-A1 Pyrimidone compounds and pharmaceutical compositions containing the same ADORA2A, ADORA1, ADORA3 LMNA 4704/4885MAPT 4664/4885MAPK1 2635/4885
US-20060270674-A1 Pharmaceutical composition promoting defecation ADORA2B, ADORA2A, ADORA1 LMNA 4457/4885MAPT 4709/4885MAPK1 4018/4885
US-20030171383-A1 Medicinal compositions promoting bowel movement ADORA2A, ADORA3, ADORA2B LMNA 4594/4885MAPT 4759/4885MAPK1 2578/4885

“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.