SCHEMBL19699059

SCHEMBL19699059

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.43
▸ FGFR4 P22455 1/20 0.40
▸ CSNK1D P48730 1/20 0.38
▸ CSNK1E P49674 1/20 0.38
▸ NEK2 P51955 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ CA9 Q16790 1/20 0.34
▸ LIMK2 P53671 1/20 0.34
▸ RPS6KA2 Q15349 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMPD3 Q9NY59 3/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 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
SCHEMBL17618425 0.92 FAAH (0.42) FAAHFGFR4CSNK1DCSNK1ENEK2
SCHEMBL17618442 0.91 FAAH (0.41) FAAHFGFR4CSNK1DCSNK1ENEK2
SCHEMBL17618367 0.90 FAAH (0.41) FAAHFGFR4CSNK1DCSNK1E
SCHEMBL17618456 0.90 LRRK2 (0.41) FAAHFGFR4USP30KCNH2
SCHEMBL19706218 0.90 FAAH (0.41) FAAHFGFR4CSNK1DCSNK1E
SCHEMBL17618522 0.90 FAAH (0.39) FAAHFGFR4RPS6KA2SMPD3CYP2C9
SCHEMBL17618525 0.89 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1ERPS6KA2
SCHEMBL17618531 0.89 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1ENEK2
SCHEMBL17618558 0.89 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1ENEK2
SCHEMBL17618447 0.89 KIT (0.41) FAAHFGFR4CSNK1DCSNK1ENEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 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.

Send feedback