SCHEMBL2163435

SCHEMBL2163435

C#Cc1c(F)cc(C(C)=O)c(-c2cccc(F)c2)c1N=NN(CC)CC

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
MAOA P21397 2/20 0.31
DCLRE1B Q9H816 1/20 0.30

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
SCHEMBL2163430 1.00 MAOB (0.32) MAOBGRIA2GRIA4TRPM8MAOA
SCHEMBL2164735 0.90 GRIA2 (0.31) MAOBGRIA2GRIA4TRPM8MAOA
SCHEMBL2164739 0.90 GRIA2 (0.31) MAOBGRIA2GRIA4TRPM8MAOA
SCHEMBL2164035 0.86 TRPM8 (0.31) MAOBGRIA2GRIA4TRPM8
SCHEMBL2164040 0.86 TRPM8 (0.31) MAOBGRIA2GRIA4TRPM8
SCHEMBL2163931 0.82 FABP3 (0.36) MAOBGRIA2GRIA4TRPM8MAOA
SCHEMBL2164066 0.82 FABP3 (0.36) MAOBGRIA2GRIA4TRPM8MAOA
SCHEMBL2163871 0.82 GCGR (0.31) GRIA2GRIA4
SCHEMBL2163878 0.82 GCGR (0.31) GRIA2GRIA4
SCHEMBL2164589 0.80

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 MAOB 1969/4885GRIA2 1267/4885GRIA4 2130/4885

“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.