SCHEMBL2451435

SCHEMBL2451435

Cc1ccc(-n2c(C)nc(Cl)c2-c2c(F)cc(F)cc2F)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.34
OXTR P30559 2/20 0.33
P2RX7 Q99572 2/20 0.33
AVPR1A P37288 1/20 0.33
GRM5 P41594 3/20 0.33
KCNH2 Q12809 1/20 0.33
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
MTOR P42345 1/20 0.32
ACLY P53396 1/20 0.31
GLA P06280 1/20 0.31
PDE4B Q07343 1/20 0.31
GRM1 Q13255 1/20 0.31
PIK3CD O00329 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
SCHEMBL2451254 0.90 GRM5 (0.35) PIK3CAOXTRGRM5KCNH2STIM1
SCHEMBL2448152 0.88 PIK3CA (0.35) PIK3CAOXTRAVPR1AGRM5STIM1
SCHEMBL2452981 0.85 OXTR (0.46) OXTRAVPR1A
SCHEMBL1074623 0.84 PIK3CA (0.41) PIK3CAKCNH2GRM1
SCHEMBL1074256 0.82 GRM1 (0.43) KCNH2PDE4BGRM1
SCHEMBL2452818 0.81 PIK3CA (0.41) PIK3CAMTORGLAPIK3CD
SCHEMBL1074563 0.79 NOTUM (0.37) GLA
SCHEMBL1074021 0.78 PTGS1 (0.35) PIK3CAOXTRAVPR1AGRM5STIM1
SCHEMBL2451262 0.78 PIK3CA (0.35) PIK3CAOXTRAVPR1AGRM5STIM1
SCHEMBL2451452 0.77 OXTR (0.44) OXTRAVPR1A

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
US-20110311649-A1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2011-12-22 US disclosed
EP-2201001-B1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-14 EP disclosed
EP-2201001-A1 NOVEL IMIDAZOLE DERIVATIVES Syngenta Participations AG (CH) 2010-06-30 EP disclosed
WO-2009053101-A1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2009-04-30 WO disclosed
EP-2053046-A1 Novel imidazole derivatives Syngeta Participations AG (CH) 2009-04-29 EP 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-20110311649-A1 NOVEL IMIDAZOLE DERIVATIVES CBR3, C3AR1, C1R PIK3CA 2874/4885OXTR 1079/4885P2RX7 365/4885

“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.