SCHEMBL15566738

SCHEMBL15566738

N#Cc1ccc2nc(Nc3cccnc3)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 17/20 0.67
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
USP2 O75604 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL15566754 0.88 GPR6 (0.64) GPR6
SCHEMBL15566306 0.88 GPR6 (0.58) GPR6SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL15565693 0.82 GPR6 (0.67) GPR6SMN1; SMN2USP2CASP1CASP7
SCHEMBL15566341 0.82 GPR6 (0.93) GPR6
SCHEMBL15567165 0.82 GPR6 (0.93) GPR6
SCHEMBL15565819 0.81 GPR6 (0.76) GPR6SMN1; SMN2USP2CASP1CASP7
SCHEMBL15566307 0.81 GPR6 (0.90) GPR6SMN1; SMN2USP2CASP1CASP7
SCHEMBL15567101 0.81 GPR6 (0.65) GPR6SMN1; SMN2USP2CASP1CASP7
SCHEMBL15568112 0.80 GPR6 (0.73) GPR6SMN1; SMN2USP2CASP1CASP7
SCHEMBL15565856 0.80 GPR6 (1.00) GPR6

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-9770452-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 US disclosed
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2017-02-09 US disclosed
US-9487526-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-08 US disclosed
EP-2882722-B1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS TAKEDA PHARMACEUTICAL (JP) 2016-07-27 EP disclosed
US-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2015-08-20 US disclosed
EP-2882722-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS Envoy Therapeutics Inc. (US) 2015-06-17 EP disclosed
WO-2014028479-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. (US) 2014-02-20 WO 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-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 GPR6 1/4885SMN1; SMN2 2970/4885ALDH1A1 1308/4885
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 GPR6 1/4885SMN1; SMN2 2970/4885ALDH1A1 1308/4885

“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.