SCHEMBL17618828

SCHEMBL17618828

COc1cc(NC(=O)N2c3nc(-c4cccc(Cl)c4)ccc3N3C[C@@H](O)[C@H]2C3)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.41
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ USP30 Q70CQ3 2/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ GRM5 P41594 2/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ RPS6KA2 Q15349 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ STK4 Q13043 2/20 0.33
▸ STK3 Q13188 2/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL17618827 0.89 P2RY1 (0.39) HCRTR1HCRTR2CNR1GRM5CNR2
SCHEMBL17618799 0.89 FAAH (0.39) FAAHCSNK1DCSNK1EFGFR4ABL1
SCHEMBL17618425 0.86 FAAH (0.42) FAAHCSNK1DCSNK1EFGFR4USP30
SCHEMBL16776254 0.86 FAAH (0.43) FAAHCSNK1DCSNK1EFGFR4USP30
SCHEMBL17618832 0.85 MPL (0.41) FAAHUSP30HCRTR1HCRTR2CNR1
SCHEMBL17618634 0.85 FAAH (0.41) FAAHCSNK1DCSNK1EFGFR4USP30
SCHEMBL16249977 0.84 CNR2 (0.51) FAAHHCRTR1HCRTR2CNR1GRM5
SCHEMBL17618826 0.82 POLB (0.41) FAAHGRM5CNR2MAPTMEN1
SCHEMBL17618838 0.82 FAAH (0.36) FAAHCSNK1DCSNK1EFGFR4PDGFRB
SCHEMBL17618829 0.81 FAAH (0.40) FAAHCNR1CNR2

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 1092/4885CSNK1D 4305/4885CSNK1E 4350/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885CSNK1D 4056/4885CSNK1E 4123/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885CSNK1D 4056/4885CSNK1E 4123/4885

“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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