SCHEMBL17618604

SCHEMBL17618604

NC(=O)c1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCN3C2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.37
▸ CPT1A P50416 2/20 0.36
▸ CPT2 P23786 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PRKD1 Q15139 9/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ PRKD2 Q9BZL6 7/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ GRM5 P41594 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
SCHEMBL17618539 0.89 CNR2 (0.39) FAAHGSK3BDYRK1ATRPV1MEN1
SCHEMBL17618605 0.89 GSK3B (0.38) FAAHGSK3BDYRK1ATRPV1
SCHEMBL17618562 0.89 PRMT5 (0.39) FAAHGSK3BDYRK1ATRPV1MEN1
SCHEMBL17618566 0.86 TRPV1 (0.40) DYRK1ATRPV1
SCHEMBL17618596 0.86 DYRK1A (0.41) GSK3BDYRK1AMEN1KMT2A
SCHEMBL17618603 0.86 GSK3B (0.40) CPT1AGSK3BDYRK1AKCNH2
SCHEMBL17624238 0.86 PIK3C3 (0.41) GSK3BDYRK1A
SCHEMBL19361197 0.85 FAAH (0.43) FAAHTRPV1MEN1HTTKMT2A
SCHEMBL19365792 0.85 MEN1 (0.38) FAAHCPT1ACPT2GSK3BDYRK1A
SCHEMBL17768254 0.84 GRM5 (0.37) FAAHGSK3BDYRK1ATRPV1MEN1

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 7 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-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 1092/4885CPT1A 295/4885CPT2 79/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885CPT1A 156/4885CPT2 56/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885CPT1A 156/4885CPT2 56/4885

“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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