SCHEMBL17618525

SCHEMBL17618525

COc1cc(NC(=O)N2c3nc(-c4ccc(C)nc4)ccc3N3CC[C@H]2C3)ncn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.40
▸ FGFR4 P22455 1/20 0.40
▸ SMPD3 Q9NY59 2/20 0.40
▸ ABL1 P00519 1/20 0.38
▸ PIK3CA P42336 11/20 0.38
▸ MTOR P42345 11/20 0.38
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ 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
SCHEMBL17618693 0.96 FGFR4 (0.40) FAAHFGFR4SMPD3ABL1PIK3CA
SCHEMBL17618522 0.90 FAAH (0.39) FAAHFGFR4SMPD3ABL1CYP2C9
SCHEMBL19699059 0.89 FAAH (0.43) FAAHFGFR4SMPD3PIK3CAMTOR
SCHEMBL17618529 0.87 FAAH (0.38) FAAHFGFR4SMPD3ABL1PIK3CA
SCHEMBL19361172 0.86 FAAH (0.39) FAAHFGFR4CYP2C9ALOX5APKCNH2
SCHEMBL17618425 0.86 FAAH (0.42) FAAHFGFR4MALT1CSNK1DCSNK1E
SCHEMBL17618734 0.86 FGFR4 (0.40) FAAHFGFR4PIK3CACYP2C9ALOX5AP
SCHEMBL17618663 0.86 FAAH (0.42) FAAHFGFR4CSNK1DCSNK1ERPS6KA2
SCHEMBL17618572 0.85 ABL1 (0.37) FAAHFGFR4ABL1CYP2C9
SCHEMBL16776274 0.85 FAAH (0.40) FAAHFGFR4ABL1PIK3CAMTOR

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 2275/4885SMPD3 3282/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885FGFR4 1754/4885SMPD3 2829/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885FGFR4 1754/4885SMPD3 2829/4885

“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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