SCHEMBL17618734

SCHEMBL17618734

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.40
▸ HCRTR1 O43613 5/20 0.39
▸ HCRTR2 O43614 5/20 0.39
▸ FAAH O00519 1/20 0.38
▸ LRRK2 Q5S007 2/20 0.36
▸ RPS6KA2 Q15349 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL17618632 0.92 FGFR4 (0.39) FGFR4FAAHRPS6KA2KCNH2PIK3CD
SCHEMBL17618631 0.92 FGFR4 (0.39) FGFR4HCRTR1HCRTR2FAAHRPS6KA2
SCHEMBL17618663 0.91 FAAH (0.42) FGFR4FAAHLRRK2RPS6KA2CYP1A2
SCHEMBL19699084 0.91 LRRK2 (0.37) HCRTR1HCRTR2LRRK2DGAT2PIM2
SCHEMBL16776274 0.91 FAAH (0.40) FGFR4HCRTR1HCRTR2FAAHRPS6KA2
SCHEMBL17618618 0.90 FGFR4 (0.38) FGFR4HCRTR1HCRTR2FAAHCYP1A2
SCHEMBL17618693 0.90 FGFR4 (0.40) FGFR4FAAHRPS6KA2KCNH2PIK3CD
SCHEMBL17618730 0.88 LRRK2 (0.36) HCRTR1HCRTR2FAAHLRRK2DGAT2
SCHEMBL17618529 0.88 FAAH (0.38) FGFR4HCRTR2FAAHRPS6KA2KCNH2
SCHEMBL17618720 0.86 ABL1 (0.39) FGFR4FAAHRPS6KA2PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 2275/4885HCRTR1 2630/4885HCRTR2 3066/4885

“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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