SCHEMBL2449304

SCHEMBL2449304

COc1cc(F)c(-c2c(Cl)nc(C)n2-c2cnc3ccccc3c2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTR3A P46098 1/20 0.38
CCKAR P32238 8/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CD O00329 2/20 0.37
MTOR P42345 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
IGF1R P08069 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ALPL P05186 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
SCHEMBL2451300 0.90 HTR3A (0.38) CYP11B1CYP11B2HTR3ACCKARPIK3CA
SCHEMBL2452818 0.89 PIK3CA (0.41) CYP11B1CYP11B2HTR3APIK3CAPIK3CD
SCHEMBL2451262 0.83 PIK3CA (0.35) PIK3CASMN1; SMN2CYP1A2
SCHEMBL2448152 0.83 PIK3CA (0.35) PIK3CASMN1; SMN2CYP1A2
SCHEMBL2451452 0.82 OXTR (0.44)
SCHEMBL1110867 0.81 PIK3CA (0.40) PIK3CASMN1; SMN2
SCHEMBL1073735 0.80 SMN1; SMN2 (0.41) PIK3CASMN1; SMN2
SCHEMBL1076571 0.80 SMN1; SMN2 (0.38) PIK3CASMN1; SMN2CYP1A2
SCHEMBL1225381 0.80 PIK3CA (0.42) PIK3CAMTORSMN1; SMN2
SCHEMBL1081059 0.80 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2

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 12 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-2053044-A1 Novel imidazole derivatives Syngenta Participations AG (CH) 2009-04-29 EP 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-2053044-A1 Novel imidazole derivatives Syngenta Participations AG (CH) 2009-04-29 EP 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 CYP11B1 832/4885CYP11B2 1067/4885HTR3A 2050/4885

“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.