SCHEMBL16776373

SCHEMBL16776373

COc1cc(NC(=O)N2C[C@H](C)CNc3ccc(-c4cccc(Cl)c4)nc32)ncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ GRM5 P41594 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ USP30 Q70CQ3 2/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ RPS6KA2 Q15349 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ STK4 Q13043 1/20 0.33
▸ STK3 Q13188 1/20 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
SCHEMBL16776378 0.89 P2RY1 (0.39) HCRTR1HCRTR2CNR1CNR2MEN1
SCHEMBL16776372 0.85 CNR2 (0.51) FGFR4FAAHGRM5CNR2KMO
SCHEMBL16776375 0.83 FAAH (0.38) FAAHCNR2BRAF
SCHEMBL16775908 0.83 FAAH (0.39) FGFR4FAAHGRM5CSNK1DCSNK1E
SCHEMBL16776390 0.82 FGFR4 (0.39) FGFR4FAAHCSNK1DCSNK1EKIT
SCHEMBL16776371 0.80 BRAF (0.38) GRM5CNR2BRAFLIMK2
SCHEMBL16776374 0.80 TSHR (0.46) BRAF
SCHEMBL16776381 0.78 ABL1 (0.36) CSNK1DCNR2MEN1KMT2A
SCHEMBL16776359 0.78 NPC1 (0.38) KMO
SCHEMBL19670227 0.78 FGFR4 (0.48) FGFR4FAAHGRM5CSNK1DCSNK1E

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FGFR4 1754/4885FAAH 977/4885GRM5 3471/4885

“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.

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