SCHEMBL17618618

SCHEMBL17618618

COc1cc(NC(=O)N2c3nc(-c4cncc(C(F)(F)F)c4)ccc3N3CCC[C@H]2C3)ncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.38
▸ FAAH O00519 1/20 0.36
▸ KDR P35968 6/20 0.35
▸ TEK Q02763 5/20 0.35
▸ LCK P06239 4/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ SCN10A Q9Y5Y9 3/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ FES P07332 1/20 0.34
▸ LYN P07948 1/20 0.34
▸ FGR P09769 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ CSK P41240 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ HCRTR1 O43613 4/20 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
SCHEMBL17618572 0.96 ABL1 (0.37) FGFR4FAAHKDRTEKLCK
SCHEMBL17618373 0.91 FAAH (0.40) FGFR4FAAHKDRABL1BRAF
SCHEMBL19365762 0.91 FAAH (0.40) FGFR4FAAHKDRABL1BRAF
SCHEMBL17618632 0.91 FGFR4 (0.39) FGFR4FAAHABL1DYRK1A
SCHEMBL17618734 0.90 FGFR4 (0.40) FGFR4FAAHHCRTR1HCRTR2CYP1A2
SCHEMBL17618631 0.89 FGFR4 (0.39) FGFR4FAAHABL1HCRTR1HCRTR2
SCHEMBL17618619 0.88 PIM2 (0.37) KDRTEKLCKABL1SCN10A
SCHEMBL17618663 0.88 FAAH (0.42) FGFR4FAAHDYRK1AKITCYP1A2
SCHEMBL19706218 0.86 FAAH (0.41) FGFR4FAAHKDRABL1BRAF
SCHEMBL17618367 0.86 FAAH (0.41) FGFR4FAAHKDRABL1BRAF

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 FGFR4 2275/4885FAAH 1092/4885KDR 1526/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FGFR4 1754/4885FAAH 977/4885KDR 1697/4885

“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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