SCHEMBL3786887

SCHEMBL3786887

Nc1ncc(-c2ccoc2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.48
ERN1 O75460 1/20 0.46
IKBKE Q14164 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
MTOR P42345 2/20 0.44
PIK3CD O00329 2/20 0.43
PIK3CA P42336 10/20 0.43
TNF P01375 1/20 0.41
CYP3A4 P08684 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
MAP3K12 Q12852 3/20 0.40
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 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
SCHEMBL2762444 0.76 PIK3CD (0.71) MTORPIK3CDPIK3CATNFCYP3A4
SCHEMBL14933998 0.76 FYN (0.51) FYNIKBKETBK1PIK3CDMAP3K12
SCHEMBL312412 0.76 MAP4K4 (0.56) MTORPIK3CDPIK3CATNFCYP3A4
SCHEMBL29836817 0.70 FYN (0.44) FYNIKBKETBK1PIK3CDPIK3CA
SCHEMBL3683451 0.69 ERN1 (0.38) ERN1PIK3CD
SCHEMBL21223639 0.69 PIK3CD (0.47) MTORPIK3CDPIK3CATNFCYP3A4
SCHEMBL16455707 0.69 CYP1A2 (0.40) FYNERN1CYP3A4
SCHEMBL15743230 0.68 PIK3CA (0.50) MTORPIK3CDPIK3CATNFCYP3A4
SCHEMBL3788134 0.68 ERN1 (0.40) ERN1PIK3CD
SCHEMBL21031807 0.68 GLA (0.45) MTORPIK3CDPIK3CATNFPIK3CB

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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 FYN 2695/4885ERN1 237/4885IKBKE 1401/4885

“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.