SCHEMBL17618799

SCHEMBL17618799

COc1cc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3C[C@@H](O)[C@H]2C3)ncn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.39
▸ KDR P35968 11/20 0.38
▸ MAPK14 Q16539 5/20 0.38
▸ BRAF P15056 5/20 0.38
▸ TNNI3K Q59H18 4/20 0.38
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ PHGDH O43175 2/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ FYN P06241 1/20 0.34

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
SCHEMBL17618838 0.90 FAAH (0.36) FAAHKDRCSNK1DCSNK1EFGFR4
SCHEMBL17618813 0.90 NPC1 (0.38) PHGDHADORA2AFYN
SCHEMBL17618828 0.89 FAAH (0.41) FAAHCSNK1DCSNK1EFGFR4ABL1
SCHEMBL19670312 0.87 KDR (0.39) FAAHKDRMAPK14BRAFTNNI3K
SCHEMBL19706218 0.87 FAAH (0.41) FAAHKDRMAPK14BRAFTNNI3K
SCHEMBL17618367 0.87 FAAH (0.41) FAAHKDRMAPK14BRAFTNNI3K
SCHEMBL16775963 0.86 FAAH (0.42) FAAHKDRMAPK14BRAFTNNI3K
SCHEMBL17618818 0.86 MPL (0.43) FAAHADORA2AFYN
SCHEMBL17618373 0.85 FAAH (0.40) FAAHKDRMAPK14BRAFTNNI3K
SCHEMBL19365762 0.85 FAAH (0.40) FAAHKDRMAPK14BRAFTNNI3K

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 1526/4885MAPK14 1516/4885
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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