SCHEMBL17618648

SCHEMBL17618648

COc1cc(NC(=O)N2c3nc(-c4ccnc(N5CC[C@@H](F)C5)c4)ccc3N3CC[C@H]2C3)ncn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.37
▸ ITGB2 P05107 7/20 0.37
▸ ICAM1 P05362 7/20 0.37
▸ ITGAL P20701 7/20 0.37
▸ KARS1 Q15046 2/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ HPGDS O60760 1/20 0.35
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ LRRK2 Q5S007 3/20 0.34
▸ RPS6KA2 Q15349 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GSK3B P49841 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
SCHEMBL17618656 1.00 FAAH (0.37) FAAHITGB2ICAM1ITGALKARS1
SCHEMBL19361175 0.93 ITGB2 (0.38) FAAHITGB2ICAM1ITGALKARS1
SCHEMBL19361172 0.89 FAAH (0.39) FAAHFGFR4HPGDSCSNK1DCSNK1E
SCHEMBL19361177 0.89 MAP3K12 (0.37) FAAHITGB2ICAM1ITGALFGFR4
SCHEMBL17618522 0.89 FAAH (0.39) FAAHFGFR4HPGDSRPS6KA2CYP2C9
SCHEMBL17618531 0.88 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1ELRRK2
SCHEMBL17618558 0.88 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1ELRRK2
SCHEMBL19365725 0.88 FGFR4 (0.37) FAAHITGB2ICAM1ITGALKARS1
SCHEMBL19365721 0.88 FGFR4 (0.37) FAAHITGB2ICAM1ITGALKARS1
SCHEMBL17618449 0.87 HPGDS (0.38) FAAHITGB2ICAM1ITGALFGFR4

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 1092/4885ITGB2 4542/4885ICAM1 2642/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885ITGB2 4660/4885ICAM1 2254/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885ITGB2 4660/4885ICAM1 2254/4885

“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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