SCHEMBL17618373

SCHEMBL17618373

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.40
▸ KDR P35968 7/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ IDH2 P48735 4/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ MAPK14 Q16539 1/20 0.36
▸ TNNI3K Q59H18 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ BRAF P15056 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PHGDH O43175 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36

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
SCHEMBL19365762 1.00 FAAH (0.40) FAAHKDRKIF11IDH2FGFR4
SCHEMBL19706218 0.96 FAAH (0.41) FAAHKDRIDH2FGFR4MAPK14
SCHEMBL17618367 0.96 FAAH (0.41) FAAHKDRIDH2FGFR4MAPK14
SCHEMBL16775963 0.91 FAAH (0.42) FAAHKDRIDH2FGFR4MAPK14
SCHEMBL17618618 0.91 FGFR4 (0.38) FAAHKDRFGFR4BRAFABL1
SCHEMBL17618365 0.90 NPC1 (0.37) KIF11IDH2KDM4EUSP2LMNA
SCHEMBL17618634 0.89 FAAH (0.41) FAAHKIF11FGFR4CSNK1DCSNK1E
SCHEMBL17618544 0.88 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1EKDM4E
SCHEMBL17618613 0.88 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1EKDM4E
SCHEMBL17618504 0.87 LRRK2 (0.42) FAAHFGFR4TSHR

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 1092/4885KDR 1526/4885KIF11 2648/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885KDR 1697/4885KIF11 2662/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885KDR 1697/4885KIF11 2662/4885

“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