SCHEMBL17618765

SCHEMBL17618765

COc1cc(NC(=O)N2c3nc(-c4cncc(F)c4)ccc3N3CCC2CC3)ncn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ CSNK1E P49674 1/20 0.39
▸ GSK3B P49841 3/20 0.38
▸ DYRK1A Q13627 3/20 0.38
▸ GPR6 P46095 2/20 0.37
▸ ABL1 P00519 2/20 0.36
▸ AKT1 P31749 6/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ RPS6KA1 Q15418 2/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ SCD O00767 1/20 0.34
▸ RPS6KA2 Q15349 1/20 0.34

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
SCHEMBL16776274 0.92 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1EGSK3B
SCHEMBL17618632 0.91 FGFR4 (0.39) FAAHFGFR4CSNK1DCSNK1EGSK3B
SCHEMBL17618750 0.91 FAAH (0.39) FAAHFGFR4CSNK1DCSNK1EGSK3B
SCHEMBL17618772 0.89 NPC1 (0.38) GSK3BDYRK1AGPR6ABL1PIK3CA
SCHEMBL16776288 0.86 CHRM4 (0.39) FAAHGSK3BDYRK1AABL1AKT1
SCHEMBL17618529 0.86 FAAH (0.38) FAAHFGFR4CSNK1DCSNK1EGSK3B
SCHEMBL17618572 0.86 ABL1 (0.37) FAAHFGFR4DYRK1AABL1
SCHEMBL16776276 0.83 GSK3B (0.40) FAAHGSK3BDYRK1AABL1AKT1
SCHEMBL16776254 0.83 FAAH (0.43) FAAHFGFR4CSNK1DCSNK1E
SCHEMBL16775963 0.83 FAAH (0.42) FAAHFGFR4CSNK1DCSNK1EABL1

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 9 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
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 1092/4885FGFR4 2275/4885CSNK1D 4305/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885FGFR4 1754/4885CSNK1D 4056/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885FGFR4 1754/4885CSNK1D 4056/4885

“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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