SCHEMBL17618522

SCHEMBL17618522

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ HPGDS O60760 1/20 0.35
▸ RPS6KA2 Q15349 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ KIT P10721 6/20 0.35
▸ GSK3B P49841 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SMPD3 Q9NY59 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CDK1 P06493 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CDK9 P50750 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
SCHEMBL19361172 0.91 FAAH (0.39) FAAHFGFR4HPGDSRPS6KA2KIT
SCHEMBL17618525 0.90 FAAH (0.40) FAAHFGFR4RPS6KA2ABL1CYP2C9
SCHEMBL19699059 0.90 FAAH (0.43) FAAHFGFR4RPS6KA2CYP2C9ALOX5AP
SCHEMBL17618449 0.89 HPGDS (0.38) FAAHFGFR4HPGDSKIT
SCHEMBL17618717 0.89 SMO (0.38) HPGDSABL1GSK3BSMPD3WNT3A
SCHEMBL17618656 0.89 FAAH (0.37) FAAHFGFR4HPGDSRPS6KA2GSK3B
SCHEMBL17618648 0.89 FAAH (0.37) FAAHFGFR4HPGDSRPS6KA2GSK3B
SCHEMBL17778323 0.88 KARS1 (0.40) ABL1GSK3BNPC1RAB9ATP53
SCHEMBL16754282 0.88 KARS1 (0.40) ABL1GSK3BNPC1RAB9ATP53
SCHEMBL17768146 0.88 RAF1 (0.34) FAAHABL1WNT3A

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 1092/4885FGFR4 2275/4885HPGDS 1307/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885FGFR4 1754/4885HPGDS 1358/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885FGFR4 1754/4885HPGDS 1358/4885

“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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