SCHEMBL5776551

SCHEMBL5776551

COc1cc(N)c(C#N)c(C2CCCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
MAPKAPK2 P49137 2/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
HTR2A P28223 3/20 0.35
ADORA1 P30542 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 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
SCHEMBL5774696 0.95 IKBKB (0.41) IKBKBPTGDR2MAPKAPK2ALOX5APFEN1
SCHEMBL5778419 0.92 MAPKAPK2 (0.40) IKBKBMAPKAPK2MEN1KMT2AADORA1
SCHEMBL5772540 0.86 MAPKAPK2 (0.39) IKBKBMAPKAPK2MEN1KMT2AADORA1
SCHEMBL5776290 0.82 PTGDR2 (0.39) IKBKBPTGDR2MEN1KMT2AALOX5AP
SCHEMBL5776006 0.78 CFTR (0.40) IKBKBMAPKAPK2KMT2AADORA1ADORA2A
SCHEMBL5773407 0.78 IKBKB (0.36) IKBKBPTGDR2ALOX5APFEN1HTR2A
SCHEMBL5775046 0.74 TRPV4 (0.35) IKBKBADORA1ADORA2AADORA2BKDM4E
SCHEMBL8785638 0.73 PTGDR2 (0.49) PTGDR2MEN1KMT2AHTR2AKDM4E
SCHEMBL8785502 0.73 PTGDR2 (0.49) PTGDR2MEN1KMT2AHTR2AKDM4E
SCHEMBL6948732 0.72 ALDH1A1 (0.36) MAPKAPK2ADORA1ADORA2AADORA2BKDM4E

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 2454/4885PTGDR2 57/4885MAPKAPK2 4313/4885

“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.