SCHEMBL19706218

SCHEMBL19706218

COc1cc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@@H]2C3)ncn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.41
▸ KDR P35968 8/20 0.39
▸ MAPK14 Q16539 2/20 0.37
▸ TNNI3K Q59H18 2/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ BRAF P15056 4/20 0.37
▸ RPS6KB1 P23443 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ PHGDH O43175 2/20 0.36
▸ IDH2 P48735 2/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36

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
SCHEMBL17618367 1.00 FAAH (0.41) FAAHKDRMAPK14TNNI3KCSNK1D
SCHEMBL19365762 0.96 FAAH (0.40) FAAHKDRMAPK14TNNI3KCSNK1D
SCHEMBL17618373 0.96 FAAH (0.40) FAAHKDRMAPK14TNNI3KCSNK1D
SCHEMBL16775963 0.95 FAAH (0.42) FAAHKDRMAPK14TNNI3KCSNK1D
SCHEMBL17618572 0.90 ABL1 (0.37) FAAHKDRFGFR4BRAFABL1
SCHEMBL19699059 0.90 FAAH (0.43) FAAHCSNK1DCSNK1EFGFR4
SCHEMBL17618447 0.90 KIT (0.41) FAAHKDRMAPK14CSNK1DCSNK1E
SCHEMBL17618356 0.90 NPC1 (0.38) PHGDHIDH2KDM1AMAOAMAOB
SCHEMBL17618425 0.89 FAAH (0.42) FAAHCSNK1DCSNK1EFGFR4
SCHEMBL17618449 0.88 HPGDS (0.38) FAAHFGFR4RPS6KB1

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885KDR 1697/4885MAPK14 2116/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885KDR 1697/4885MAPK14 2116/4885

“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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