SCHEMBL9219920

SCHEMBL9219920

Nc1c(F)ccc(C(F)(F)F)c1F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.44
PDE2A O00408 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MPL P40238 6/20 0.37
KDM1A O60341 1/20 0.36
HSD11B1 P28845 1/20 0.34
AR P10275 3/20 0.33

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
SCHEMBL23380051 0.81 FEN1 (0.39) KIF11POLBTSHR
SCHEMBL2749699 0.81 KIF11 (0.44) KIF11GLAPOLBGAATSHR
SCHEMBL438369 0.81 KIF11 (0.39) KIF11PDE2AGLAPOLBGAA
SCHEMBL27912586 0.77 KIF11 (0.41) KIF11GLAPOLBGAATSHR
SCHEMBL437464 0.77 KIF11 (0.37) KIF11PDE2AGLAPOLBGAA
SCHEMBL27895332 0.77 KIF11 (0.41) KIF11GLAPOLBGAATSHR
SCHEMBL16330269 0.77 KIF11 (0.37) KIF11PDE2AGLAPOLBGAA
SCHEMBL1028179 0.77 KIF11 (0.37) KIF11PDE2AGLAPOLBGAA
SCHEMBL28005085 0.77 IDO1 (0.38) KIF11PDE2AGLAPOLBGAA
SCHEMBL6703882 0.77 KIF11 (0.41) KIF11GLAPOLBGAATSHR

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-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A KIF11 4740/4885PDE2A 1554/4885GLA 778/4885

“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.