SCHEMBL2448152

SCHEMBL2448152

COc1cc(F)c(-c2c(Cl)nc(C)n2-c2ccc(C)nc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
GRM8 O00222 1/20 0.34
CYP1A2 P05177 1/20 0.34
GRM7 Q14831 1/20 0.34
OXTR P30559 6/20 0.34
AVPR1A P37288 4/20 0.34
GRM5 P41594 1/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 2/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL1074021 0.91 PTGS1 (0.35) PIK3CAPTGS1PTGS2GRM8CYP1A2
SCHEMBL2451262 0.91 PIK3CA (0.35) PIK3CAPTGS1PTGS2GRM8CYP1A2
SCHEMBL2451452 0.90 OXTR (0.44) OXTRAVPR1A
SCHEMBL2451435 0.88 PIK3CA (0.34) PIK3CAOXTRAVPR1AGRM5STIM1
SCHEMBL1225623 0.87 STIM1 (0.41) PIK3CAPTGS1PTGS2GRM8CYP1A2
SCHEMBL1110867 0.87 PIK3CA (0.40) PIK3CAPTGS1PTGS2OXTRSMN1; SMN2
SCHEMBL1225381 0.85 PIK3CA (0.42) PIK3CAPTGS1PTGS2GRM5SMN1; SMN2
SCHEMBL1076571 0.85 SMN1; SMN2 (0.38) PIK3CAPTGS1PTGS2GRM8CYP1A2
SCHEMBL1073735 0.85 SMN1; SMN2 (0.41) PIK3CASMN1; SMN2TSHRHTTIDO1
SCHEMBL1074241 0.84 SMN1; SMN2 (0.36) PTGS1PTGS2GRM8CYP1A2GRM7

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 10 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 claimed
EP-2201001-B1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-14 EP claimed
EP-2201001-A1 NOVEL IMIDAZOLE DERIVATIVES Syngenta Participations AG (CH) 2010-06-30 EP claimed
WO-2009053101-A1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2009-04-30 WO claimed
EP-2053046-A1 Novel imidazole derivatives Syngeta Participations AG (CH) 2009-04-29 EP claimed
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 2874/4885PTGS1 3566/4885PTGS2 4219/4885

“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.