SCHEMBL17618448

SCHEMBL17618448

COc1cc(NC(=O)N2c3nc(-c4ccccc4C(F)(F)F)ccc3N3CC[C@H]2C3)ncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.40
▸ MPL P40238 1/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.37
▸ TSHR P16473 3/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ PIM2 Q9P1W9 2/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ CYP1A2 P05177 3/20 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
SCHEMBL17618582 0.87 FAAH (0.38) FAAHFGFR4
SCHEMBL17618367 0.86 FAAH (0.41) FAAHFGFR4
SCHEMBL19706218 0.86 FAAH (0.41) FAAHFGFR4
SCHEMBL19670368 0.85 FGFR4 (0.39) FAAHMPLCYP3A4HPGDFGFR4
SCHEMBL17618449 0.84 HPGDS (0.38) FAAHFGFR4CYP2C19
SCHEMBL17618443 0.84 TRPV1 (0.49) CYP3A4HPGDPIM2PIM1PIM3
SCHEMBL17618572 0.84 ABL1 (0.37) FAAHFGFR4CYP2C19CYP1A2
SCHEMBL17618447 0.83 KIT (0.41) FAAHFGFR4GSK3B
SCHEMBL19699059 0.83 FAAH (0.43) FAAHFGFR4USP2
SCHEMBL17618662 0.82 FAAH (0.39) FAAHFGFR4PDE10APIM2KDM4E

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 1092/4885MPL 3356/4885CYP3A4 2632/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885MPL 3547/4885CYP3A4 2788/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885MPL 3547/4885CYP3A4 2788/4885

“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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