SCHEMBL17618529

SCHEMBL17618529

COc1cc(NC(=O)N2c3nc(-c4cncc(Cl)c4)ccc3N3CC[C@H]2C3)ncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ RPS6KA2 Q15349 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ CSNK1E P49674 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL17618631 0.95 FGFR4 (0.39) FAAHFGFR4PDGFRBPDGFRAMALT1
SCHEMBL17618750 0.95 FAAH (0.39) FAAHFGFR4PDGFRBPDGFRAMALT1
SCHEMBL17618425 0.90 FAAH (0.42) FAAHFGFR4PDGFRBMALT1HCRTR2
SCHEMBL17618572 0.89 ABL1 (0.37) FAAHFGFR4ABL1CYP2C9DYRK1A
SCHEMBL17618734 0.88 FGFR4 (0.40) FAAHFGFR4HCRTR2PIK3CARPS6KA2
SCHEMBL17618525 0.87 FAAH (0.40) FAAHFGFR4MALT1ABL1PIK3CA
SCHEMBL16776274 0.87 FAAH (0.40) FAAHFGFR4ABL1HCRTR2EGFR
SCHEMBL17618526 0.86 FAAH (0.35) FAAHABL1GSK3BIRAK4
SCHEMBL17618632 0.86 FGFR4 (0.39) FAAHFGFR4ABL1PIK3CARPS6KA2
SCHEMBL17618765 0.86 FAAH (0.39) FAAHFGFR4ABL1PIK3CAMTOR

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 1092/4885FGFR4 2275/4885PDGFRB 2694/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885FGFR4 1754/4885PDGFRB 2582/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885FGFR4 1754/4885PDGFRB 2582/4885

“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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