SCHEMBL17618564

SCHEMBL17618564

COc1cc(NC(=O)N2c3nc(-c4cccc(N5CCC(C(F)(F)F)C5)c4)ccc3N3CC[C@H]2C3)ncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.39
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ INSR P06213 1/20 0.34
▸ PHGDH O43175 1/20 0.33
▸ CLK2 P49760 4/20 0.33
▸ LRRK2 Q5S007 4/20 0.33
▸ SYK P43405 1/20 0.33
▸ SCN5A Q14524 1/20 0.32
▸ HPGDS O60760 2/20 0.32
▸ MAP3K12 Q12852 1/20 0.32
▸ RPS6KA2 Q15349 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ NEK2 P51955 1/20 0.31
▸ HTR1A P08908 1/20 0.31

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
SCHEMBL17618558 0.93 FAAH (0.40) FAAHCSNK1DCSNK1EFGFR4INSR
SCHEMBL17618531 0.93 FAAH (0.40) FAAHCSNK1DCSNK1EFGFR4INSR
SCHEMBL17618442 0.90 FAAH (0.41) FAAHCSNK1DCSNK1EFGFR4INSR
SCHEMBL19361175 0.89 ITGB2 (0.38) FAAHCSNK1DCSNK1EFGFR4SYK
SCHEMBL19365442 0.89 FAAH (0.37) FAAHCSNK1DCSNK1EFGFR4INSR
SCHEMBL19706218 0.88 FAAH (0.41) FAAHCSNK1DCSNK1EFGFR4PHGDH
SCHEMBL17618367 0.88 FAAH (0.41) FAAHCSNK1DCSNK1EFGFR4PHGDH
SCHEMBL17618537 0.87 FAAH (0.38) FAAHCSNK1DCSNK1EFGFR4MAP3K12
SCHEMBL19699059 0.87 FAAH (0.43) FAAHCSNK1DCSNK1EFGFR4RPS6KA2
SCHEMBL17618447 0.86 KIT (0.41) FAAHCSNK1DCSNK1EFGFR4HPGDS

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 1092/4885CSNK1D 4305/4885CSNK1E 4350/4885

“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.

Send feedback