SCHEMBL5777686

SCHEMBL5777686

COCCOc1cc(OC)cc(N)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.43
MAPK9 P45984 5/20 0.43
MAPK10 P53779 5/20 0.43
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 1/20 0.37
GBA1 P04062 1/20 0.37
HPGD P15428 1/20 0.37
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SRC P12931 2/20 0.36
FDPS P14324 1/20 0.35
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
ADORA2B P29275 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL15647191 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EGBA1HPGDCYP3A4
SCHEMBL5771980 0.82 SQOR (0.38) MAPK8MAPK9MAPK10ALDH1A1KDM4E
SCHEMBL6947525 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EGBA1HPGDPRKACA
SCHEMBL20547011 0.76 SQOR (0.38) MAPK8MAPK9MAPK10ALDH1A1KDM4E
SCHEMBL3807595 0.75 NPC1 (0.44) MAPK8MAPK9MAPK10ALDH1A1KDM4E
SCHEMBL12312338 0.72 ALDH1A1 (0.61) ALDH1A1KDM4ECYP3A4CYP1A2CYP2C19
SCHEMBL23914846 0.71 AR (0.45) ALDH1A1KDM4EHPGDSRCAR
SCHEMBL482053 0.71 AR (0.42) ALDH1A1KDM4ESRCAR
SCHEMBL8044771 0.71 FDPS (0.44) MAPK8MAPK9MAPK10ALDH1A1HSD17B10
SCHEMBL20866202 0.71 SRC (0.46) ALDH1A1KDM4ESRCFDPSAR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
EP-1483257-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2004-12-08 EP disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 US disclosed
WO-2003076427-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2003-09-18 WO 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 (1 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 MAPK8 2862/4885MAPK9 3144/4885MAPK10 2560/4885

“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.