SCHEMBL16776274

SCHEMBL16776274

COc1cc(NC(=O)N2c3nc(-c4cncc(C)c4)ccc3N3CCC2CC3)ncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.40
▸ FGFR4 P22455 1/20 0.40
▸ HCRTR1 O43613 4/20 0.39
▸ HCRTR2 O43614 4/20 0.39
▸ RPS6KA2 Q15349 1/20 0.34
▸ PIK3CA P42336 3/20 0.34
▸ MTOR P42345 3/20 0.34
▸ EGFR P00533 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ GSK3B P49841 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GPR6 P46095 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 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
SCHEMBL17618765 0.92 FAAH (0.39) FAAHFGFR4RPS6KA2PIK3CAMTOR
SCHEMBL17618750 0.92 FAAH (0.39) FAAHFGFR4HCRTR2RPS6KA2PIK3CA
SCHEMBL17618734 0.91 FGFR4 (0.40) FAAHFGFR4HCRTR1HCRTR2RPS6KA2
SCHEMBL16776278 0.89 HCRTR1 (0.37) HCRTR1HCRTR2PIK3CAMTORCYP2C9
SCHEMBL16776289 0.87 FAAH (0.35) FAAHHCRTR1HCRTR2EGFRGSK3B
SCHEMBL17618529 0.87 FAAH (0.38) FAAHFGFR4HCRTR2RPS6KA2PIK3CA
SCHEMBL17618572 0.85 ABL1 (0.37) FAAHFGFR4DYRK1ACYP2C9ABL1
SCHEMBL17618525 0.85 FAAH (0.40) FAAHFGFR4RPS6KA2PIK3CAMTOR
SCHEMBL16776273 0.85 FAAH (0.36) FAAHHCRTR1HCRTR2GSK3BDYRK1A
SCHEMBL16776254 0.85 FAAH (0.43) FAAHFGFR4HCRTR1HCRTR2CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885FGFR4 1754/4885HCRTR1 2303/4885

“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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