SCHEMBL16776254

SCHEMBL16776254

COc1cc(NC(=O)N2c3nc(-c4cccc(Cl)c4)ccc3N3CCC2CC3)ncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.43
▸ STK4 Q13043 3/20 0.40
▸ STK3 Q13188 3/20 0.40
▸ LRRK2 Q5S007 3/20 0.40
▸ FGFR4 P22455 1/20 0.40
▸ CSNK1D P48730 1/20 0.39
▸ CSNK1E P49674 1/20 0.39
▸ GRM5 P41594 4/20 0.39
▸ USP30 Q70CQ3 1/20 0.38
▸ PDGFRB P09619 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ NEK2 P51955 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ LITAF Q99732 1/20 0.35

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
SCHEMBL17618425 0.95 FAAH (0.42) FAAHSTK4STK3LRRK2FGFR4
SCHEMBL17618634 0.91 FAAH (0.41) FAAHSTK4STK3LRRK2FGFR4
SCHEMBL17618750 0.90 FAAH (0.39) FAAHFGFR4CSNK1DCSNK1EPDGFRB
SCHEMBL16776250 0.89 P2RY1 (0.40) STK4STK3LRRK2GRM5CNR1
SCHEMBL16775963 0.88 FAAH (0.42) FAAHFGFR4CSNK1DCSNK1EPDGFRB
SCHEMBL19699059 0.87 FAAH (0.43) FAAHFGFR4CSNK1DCSNK1EUSP30
SCHEMBL17618828 0.86 FAAH (0.41) FAAHSTK4STK3LRRK2FGFR4
SCHEMBL17618529 0.85 FAAH (0.38) FAAHFGFR4CSNK1DCSNK1EPDGFRB
SCHEMBL17618739 0.85 GRM5 (0.42) FAAHSTK4STK3LRRK2GRM5
SCHEMBL16776274 0.85 FAAH (0.40) FAAHFGFR4CSNK1DCSNK1EHCRTR1

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 11 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
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
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 (4 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 1092/4885STK4 722/4885STK3 774/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885STK4 796/4885STK3 728/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885STK4 796/4885STK3 728/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885STK4 796/4885STK3 728/4885

“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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