SCHEMBL5754832

SCHEMBL5754832

COc1cc(F)c(C#N)c(Br)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 3/20 0.38
CA6 P23280 3/20 0.38
PTPN1 P18031 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
TP53 P04637 1/20 0.36
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SRC P12931 1/20 0.34
BRD4 O60885 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CA9 Q16790 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
SCHEMBL5751215 0.79 KDM4E (0.38) TRPV4ADORA2AADORA1PDE4APDE4B
SCHEMBL31432600 0.76 TRPV4 (0.37) CA2CA4TRPV4TP53KDM4E
SCHEMBL31432595 0.75 EPAS1 (0.40) ADORA2AADORA1KDM4EMAPT
SCHEMBL1629238 0.75 TRPV4 (0.39) TRPV4KDM4ECYP3A4MAPT
SCHEMBL31511101 0.74 TRPV4 (0.38) CA2CA4TRPV4ADORA2AADORA1
SCHEMBL5754985 0.73 ALDH1A1 (0.42) KDM4EBRD4CYP3A4MAPT
SCHEMBL31432586 0.72 CA2 (0.41) CA2CA4TRPV4KDM4E
SCHEMBL31432614 0.72 TRPV4 (0.34) CA1CA2CA4CA6TRPV4
SCHEMBL14720070 0.71 ALOX5AP (0.36) CA2CA4TRPV4ADORA2AADORA1
SCHEMBL17992 0.71 TRPV4 (0.42) TRPV4KDM4EMAPT

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-1387839-B1 PROCESS FOR THE PRODUCTION OF QUINAZOLINES PFIZER LTD (GB) 2006-03-08 EP disclosed
US-6734303-B2 THERAPY FOR BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2004-05-11 US disclosed
EP-1387839-A1 PROCESS FOR THE PRODUCTION OF QUINAZOLINES Pfizer Limited (GB) 2004-02-11 EP disclosed
US-20030004339-A1 Process for the production of quinazolines PFIZER INC. 2003-01-02 US disclosed
WO-2002094815-A1 PROCESS FOR THE PRODUCTION OF QUINAZOLINES PFIZER LIMITED (GB) 2002-11-28 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-20030004339-A1 Process for the production of quinazolines BPHL, KLK3, AQP3 CA1 2409/4885CA2 282/4885CA4 357/4885

“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.