SCHEMBL16775963

SCHEMBL16775963

COc1cc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CCC2CC3)ncn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.42
▸ KDR P35968 8/20 0.40
▸ MAPK14 Q16539 2/20 0.38
▸ TNNI3K Q59H18 2/20 0.38
▸ PHGDH O43175 2/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ CSNK1E P49674 1/20 0.38
▸ BRAF P15056 4/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ IDH2 P48735 2/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ PDGFRB P09619 1/20 0.37

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
SCHEMBL17618367 0.95 FAAH (0.41) FAAHKDRMAPK14TNNI3KPHGDH
SCHEMBL19706218 0.95 FAAH (0.41) FAAHKDRMAPK14TNNI3KPHGDH
SCHEMBL19365762 0.91 FAAH (0.40) FAAHKDRMAPK14TNNI3KPHGDH
SCHEMBL17618373 0.91 FAAH (0.40) FAAHKDRMAPK14TNNI3KPHGDH
SCHEMBL16775971 0.89 NPC1 (0.39) PHGDHIDH2NPY2RKDM1AMAOA
SCHEMBL16776254 0.88 FAAH (0.43) FAAHFGFR4CSNK1DCSNK1EPDGFRB
SCHEMBL16776220 0.87 PHGDH (0.48) PHGDHABL1BCR
SCHEMBL17624236 0.86 FAAH (0.39) FAAHKDRMAPK14TNNI3KFGFR4
SCHEMBL17618799 0.86 FAAH (0.39) FAAHKDRMAPK14TNNI3KPHGDH
SCHEMBL16775962 0.86 CA2 (0.40) IDH2NPY2RKDM1AMAOAMAOB

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 11 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
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (4 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 1526/4885MAPK14 1516/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885KDR 1697/4885MAPK14 2116/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885KDR 1697/4885MAPK14 2116/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885KDR 1697/4885MAPK14 2116/4885

“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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