SCHEMBL2164530

SCHEMBL2164530

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.32
S1PR1 P21453 1/20 0.32
ADORA1 P30542 1/20 0.31

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
SCHEMBL2164523 1.00 GCGR (0.32) GCGRS1PR1ADORA1
SCHEMBL2164735 0.85 GRIA2 (0.31)
SCHEMBL2164805 0.85 PDE2A (0.32) GCGR
SCHEMBL2163931 0.85 FABP3 (0.36)
SCHEMBL2164810 0.85 PDE2A (0.32) GCGR
SCHEMBL2164066 0.85 FABP3 (0.36)
SCHEMBL2164739 0.85 GRIA2 (0.31)
SCHEMBL2163729 0.84 AR (0.31)
SCHEMBL12631953 0.82 ADORA1 (0.34) GCGRADORA1
SCHEMBL2163943 0.80 TRPM8 (0.38)

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 GCGR 251/4885S1PR1 2071/4885ADORA1 2197/4885

“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.