SCHEMBL17618644

SCHEMBL17618644

N#Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@H]2CCN3C2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.39
▸ KCNH2 Q12809 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36
▸ SSTR5 P35346 1/20 0.35
▸ GPR6 P46095 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ SMO Q99835 1/20 0.34
▸ ABL1 P00519 2/20 0.33
▸ TBK1 Q9UHD2 3/20 0.33
▸ RIPK3 Q9Y572 1/20 0.33
▸ CHRM4 P08173 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
SCHEMBL17618584 0.90 CHRM4 (0.41) HRH3KCNH2FAAHMALT1GPR6
SCHEMBL16754578 0.88 GPR6 (0.36) KCNH2FAAHGPR6CHEK1TBK1
SCHEMBL19699702 0.88 GPR6 (0.36) KCNH2FAAHGPR6CHEK1TBK1
SCHEMBL16754493 0.86 CHEK1 (0.37) FAAHCHEK1ABL1
SCHEMBL19361182 0.86 FAAH (0.38) FAAHMALT1
SCHEMBL19365314 0.86 FAAH (0.38) FAAHMALT1ABL1
SCHEMBL17618489 0.86 THRB (0.44) FAAHGPR6
SCHEMBL17618560 0.86 WNT3A (0.40) HRH3KCNH2FAAH
SCHEMBL17618621 0.85 FAAH (0.39) FAAH
SCHEMBL16754339 0.85 PIK3CD (0.35) GPR6ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 HRH3 2667/4885KCNH2 4187/4885FAAH 1092/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HRH3 2288/4885KCNH2 4052/4885FAAH 977/4885

“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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