SCHEMBL15565237

SCHEMBL15565237

Fc1cc2nc(Cl)c(NC3CC3)nc2cc1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
GPR6 P46095 8/20 0.40
PGK1 P00558 2/20 0.37
JAK2 O60674 2/20 0.36
CSNK2A1 P68400 1/20 0.35
HPGD P15428 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
GBA1 P04062 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
SCHEMBL15565872 0.84 GPR6 (0.52) KMT2AGPR6JAK2
SCHEMBL17007727 0.80 GPR6 (0.47) KMT2AGPR6PGK1CSNK2A1
SCHEMBL15567569 0.79 TDP1 (0.50) KMT2AGPR6TLR7
SCHEMBL15566121 0.78 IRAK4 (0.47) KMT2AIRAK4GPR6
SCHEMBL15566210 0.78 GPR6 (0.50) GPR6PGK1
SCHEMBL15566173 0.78 GPR6 (0.39) KMT2AIRAK4GPR6PGK1CSNK2A1
SCHEMBL10848966 0.74 PGK1 (0.41) KMT2APGK1HPGD
SCHEMBL15566254 0.74 GPR6 (0.54) IRAK4GPR6
SCHEMBL15566370 0.72 GPR6 (0.49) GPR6
SCHEMBL29558664 0.72 TDP1 (0.46) KMT2APGK1HPGD

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 KMT2A 1814/4885IRAK4 1690/4885GPR6 1/4885
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 KMT2A 1814/4885IRAK4 1690/4885GPR6 1/4885

“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.