SCHEMBL17618632

SCHEMBL17618632

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ GSK3B P49841 3/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CDC42BPB Q9Y5S2 1/20 0.35
▸ AKT1 P31749 4/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ RPS6KA1 Q15418 1/20 0.34
▸ RPS6KA2 Q15349 1/20 0.34
▸ AVPR1A P37288 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PORCN Q9H237 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL17618734 0.92 FGFR4 (0.40) FGFR4FAAHCSNK1DCSNK1ERPS6KA2
SCHEMBL17618631 0.91 FGFR4 (0.39) FGFR4FAAHABL1RPS6KA2CYP3A4
SCHEMBL17618765 0.91 FAAH (0.39) FGFR4FAAHCSNK1DCSNK1EGSK3B
SCHEMBL17618618 0.91 FGFR4 (0.38) FGFR4FAAHDYRK1AABL1
SCHEMBL17618663 0.89 FAAH (0.42) FGFR4FAAHCSNK1DCSNK1EGSK3B
SCHEMBL17618693 0.87 FGFR4 (0.40) FGFR4FAAHABL1RPS6KA2CYP3A4
SCHEMBL17618529 0.86 FAAH (0.38) FGFR4FAAHCSNK1DCSNK1EGSK3B
SCHEMBL17618572 0.86 ABL1 (0.37) FGFR4FAAHDYRK1AABL1
SCHEMBL17618653 0.86 CYP3A4 (0.40) FGFR4GSK3BDYRK1AROCK2ROCK1
SCHEMBL17618654 0.84 ROCK2 (0.39) FAAHGSK3BDYRK1AROCK2ROCK1

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 FGFR4 2275/4885FAAH 1092/4885CSNK1D 4305/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FGFR4 1754/4885FAAH 977/4885CSNK1D 4056/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FGFR4 1754/4885FAAH 977/4885CSNK1D 4056/4885

“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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