SCHEMBL332663

SCHEMBL332663

Cn1nccc1-c1ccc(Br)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
AKT1 P31749 7/20 0.39
AKT2 P31751 4/20 0.39
SGK1 O00141 2/20 0.39
RPS6KB1 P23443 2/20 0.39
PRKCQ Q04759 2/20 0.39
ROCK1 Q13464 2/20 0.39
RPS6KA1 Q15418 2/20 0.39
AKT3 Q9Y243 2/20 0.39

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
SCHEMBL8226273 0.87 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL13036111 0.81 NISCH (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL20439019 0.80 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL333055 0.78 CYP1A2 (0.53) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL20438957 0.78 LRRK2 (0.44) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL15057123 0.77 ALDH1A1 (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL20438987 0.76 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL31148077 0.76 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL20438977 0.75 AKT1 (0.50) AKT1AKT2SGK1RPS6KB1PRKCQ
SCHEMBL18230242 0.75 BRD4 (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-2225229-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS Pfizer Inc. (US) 2010-09-08 EP disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 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-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 PIK3CD 1305/4885PIK3CA 1249/4885PIK3CB 1207/4885

“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.