SCHEMBL17008754

SCHEMBL17008754

N#Cc1nc(Cl)c(Cl)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.31
NSD2 O96028 1/20 0.30
MAPK1 P28482 1/20 0.30
KHK P50053 1/20 0.30

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
SCHEMBL30428573 1.00 KDM4E (0.45) KDM4EGAAALDH1A1POLBNSD2
SCHEMBL2383543 0.88 KDM4E (0.48) KDM4EGAAALDH1A1POLBNSD2
SCHEMBL29693655 0.88 KDM4E (0.48) KDM4EGAAALDH1A1POLBNSD2
SCHEMBL589590 0.79 ALDH1A1 (0.45) KDM4EGAAALDH1A1KHK
SCHEMBL30791197 0.79 KDM4E (0.37) KDM4EGAAALDH1A1
SCHEMBL23356128 0.79 KDM4E (0.37) KDM4EGAAALDH1A1
SCHEMBL13418145 0.79 KDM4E (0.39) KDM4EGAANSD2MAPK1
SCHEMBL13417584 0.79 KDM4E (0.39) KDM4EGAAALDH1A1POLBKHK
SCHEMBL8139181 0.76 KDM4E (0.42) KDM4EGAAALDH1A1MAPK1
SCHEMBL30019671 0.76 KDM4E (0.42) KDM4EGAAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111978263-B Preparation method of fampicin and intermediate thereof 长沙创新药物工业技术研究院有限公司 2023-05-26 CN disclosed
US-10273225-B2 Pyrazines as modulators of GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-04-30 US disclosed
EP-3105216-B1 PYRAZINE MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2018-10-10 EP disclosed
US-20180258073-A1 PYRAZINES MODULATORS OF GPR6 ENVOY THERAPEUTICS, INC. 2018-09-13 US disclosed
US-10000468-B2 Pyrazines as modulators of GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-19 US disclosed
US-20170174659-A1 PYRAZINES MODULATORS OF GPR6 ENVOY THERAPEUTICS, INC. 2017-06-22 US disclosed
EP-3105216-A1 PYRAZINES MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2016-12-21 EP disclosed
CN-106103421-A The pyrazine regulator of GPR6 武田药品工业株式会社 2016-11-09 CN disclosed
WO-2015123533-A1 PYRAZINES MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 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 (4 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-10000468-B2 Pyrazines as modulators of GPR6 GPR6, GPR65, GPR52 KDM4E 3784/4885GAA 2911/4885ALDH1A1 1559/4885
US-20170174659-A1 PYRAZINES MODULATORS OF GPR6 GPR6, GPR65, GPR52 KDM4E 3684/4885GAA 2722/4885ALDH1A1 1522/4885
US-10273225-B2 Pyrazines as modulators of GPR6 GPR6, GPR65, GPR52 KDM4E 3784/4885GAA 2911/4885ALDH1A1 1559/4885
US-20180258073-A1 PYRAZINES MODULATORS OF GPR6 GPR6, GPR65, GPR52 KDM4E 3684/4885GAA 2722/4885ALDH1A1 1522/4885

“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.