SCHEMBL17618442

SCHEMBL17618442

COc1cc(NC(=O)N2c3nc(-c4cccc(N5CCCC5)c4)ccc3N3CC[C@H]2C3)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.41
▸ FGFR4 P22455 1/20 0.39
▸ POLQ O75417 1/20 0.38
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ PRMT8 Q9NR22 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ HCRTR2 O43614 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ CAMK2D Q13557 1/20 0.33
▸ NEK2 P51955 1/20 0.33
▸ EGFR P00533 2/20 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
SCHEMBL17618531 0.93 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1ERPS6KA2
SCHEMBL17618558 0.93 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1ERPS6KA2
SCHEMBL17618731 0.92 FAAH (0.39) FAAHFGFR4POLQJAK2KCNH2
SCHEMBL19699059 0.91 FAAH (0.43) FAAHFGFR4CSNK1DCSNK1ERPS6KA2
SCHEMBL17618564 0.90 FAAH (0.39) FAAHFGFR4CSNK1DCSNK1ERPS6KA2
SCHEMBL17618537 0.89 FAAH (0.38) FAAHFGFR4CSNK1DCSNK1ERPS6KA2
SCHEMBL17618425 0.89 FAAH (0.42) FAAHFGFR4CSNK1DCSNK1ECNR1
SCHEMBL17618601 0.89 POLQ (0.38) POLQCARM1PRMT6PRMT8CNR1
SCHEMBL19699047 0.88 FGFR1 (0.40) POLQRPS6KA2CARM1PRMT6PRMT8
SCHEMBL17618634 0.88 FAAH (0.41) FAAHFGFR4CSNK1DCSNK1ECNR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 1092/4885FGFR4 2275/4885POLQ 2337/4885

“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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