SCHEMBL5773407

SCHEMBL5773407

COc1cc(F)c(C#N)c(C2CCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.36
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
HTR2A P28223 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
VEGFA P15692 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL5776290 0.95 PTGDR2 (0.39) IKBKBALOX5APFEN1HTR2APTGDR2
SCHEMBL5775046 0.94 TRPV4 (0.35) IKBKBTRPV4TAAR1VEGFAPRKACA
SCHEMBL5778854 0.87 CSF1R (0.33) IKBKBTRPV4TAAR1VEGFAPRKACA
SCHEMBL5774696 0.82 IKBKB (0.41) IKBKBALOX5APFEN1HTR2APTGDR2
SCHEMBL186585 0.78 TRPV4 (0.52) TRPV4TAAR1PRKACAPRKACGPRKACB
SCHEMBL5776551 0.78 IKBKB (0.40) IKBKBALOX5APFEN1HTR2APTGDR2
SCHEMBL5776479 0.77 PDE4B (0.35) CD274ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL5778419 0.75 MAPKAPK2 (0.40) IKBKBPRKACAPRKACGPRKACBPOLB
SCHEMBL5774597 0.70 TRPV4 (0.39) TRPV4TAAR1SQORPOLBTSHR
SCHEMBL2798485 0.70 TAAR1 (0.43) TRPV4TAAR1PRKACAPRKACGPRKACB

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 IKBKB 2454/4885ALOX5AP 179/4885FEN1 1074/4885

“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.