SCHEMBL16776023

SCHEMBL16776023

Cc1ccc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@H](C)CCN3)cn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.36
▸ DYRK1A Q13627 5/20 0.36
▸ PORCN Q9H237 1/20 0.36
▸ KARS1 Q15046 3/20 0.35
▸ FAAH O00519 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL16776014 0.89 GRM5 (0.40) GSK3BDYRK1AABL1KCNH2HRH3
SCHEMBL16775904 0.84 GRM5 (0.42) KARS1FAAHMAPTRAB9AKDM4E
SCHEMBL16776198 0.84 GRM5 (0.39) GSK3BDYRK1AABL1KCNH2HRH3
SCHEMBL16776465 0.84 NPC1 (0.36) GSK3BDYRK1AKARS1FAAHWNT1
SCHEMBL19365751 0.83 GSK3B (0.38) GSK3BDYRK1APORCNFAAHMAPT
SCHEMBL16776032 0.83 KCNH2 (0.41) GSK3BFAAHMAPTABL1KCNH2
SCHEMBL16775991 0.83 THRB (0.39) KARS1HDAC2
SCHEMBL16776017 0.83 GSK3B (0.38) GSK3BDYRK1AMAPTABL1KCNH2
SCHEMBL16776240 0.83 WNT1 (0.35) GSK3BDYRK1AKARS1MAPTWNT1
SCHEMBL16776055 0.82 KARS1 (0.49) GSK3BDYRK1AKARS1FAAHABL1

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 2 patents. 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
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 GSK3B 1728/4885DYRK1A 2623/4885PORCN 3797/4885

“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.

Send feedback