SCHEMBL17618544

SCHEMBL17618544

COc1cc(NC(=O)N2c3nc(-c4cccc(N(C)C)c4)ccc3N3CCC[C@@H]2C3)ncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.40
▸ FGFR4 P22455 1/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ BTK Q06187 5/20 0.33
▸ RPS6KA2 Q15349 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL17618613 1.00 FAAH (0.40) FAAHFGFR4MAP4K4CSNK1DCSNK1E
SCHEMBL17618634 0.90 FAAH (0.41) FAAHFGFR4CSNK1DCSNK1ESMN1; SMN2
SCHEMBL17618373 0.88 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1EKDM4E
SCHEMBL17618504 0.88 LRRK2 (0.42) FAAHFGFR4USP30LRRK2ALDH1A1
SCHEMBL19365762 0.88 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1EKDM4E
SCHEMBL17618663 0.87 FAAH (0.42) FAAHFGFR4CSNK1DCSNK1ERPS6KA2
SCHEMBL17618442 0.87 FAAH (0.41) FAAHFGFR4CSNK1DCSNK1ECNR1
SCHEMBL19670448 0.87 FAAH (0.40) FAAHFGFR4MAP4K4CSNK1DCSNK1E
SCHEMBL17624235 0.87 FAAH (0.40) FAAHFGFR4MAP4K4CSNK1DCSNK1E
SCHEMBL17618731 0.86 FAAH (0.39) FAAHFGFR4KCNH2

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 8 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

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 2275/4885MAP4K4 1867/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885FGFR4 1754/4885MAP4K4 2229/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885FGFR4 1754/4885MAP4K4 2229/4885

“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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