SCHEMBL1368375

SCHEMBL1368375

Cc1cn(-c2cc(Cl)nc(Cl)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 8/20 0.47
CYP2E1 P05181 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL10310480 0.78 NR2E1 (0.45) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL25187570 0.78 HTT (0.49) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL27985278 0.74 CYP1A2 (0.65) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL19272800 0.74 CYP1A2 (0.56) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL22199019 0.74 CYP2E1 (0.56) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL5674953 0.74 NR2E1 (0.39) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL12146179 0.73 KDM2B (0.55) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL12372948 0.72 NR2E1 (0.58) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL21144457 0.72 KDM4E (0.47) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL24573008 0.71 RECQL (0.37) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673891-B2 Aminopyrazine derivative and medicine NIPPON SHINYAKU CO., LTD. (JP) 2014-03-18 US disclosed
EP-2394999-B1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2014-01-29 EP disclosed
US-8586591-B2 Aminopyrazine derivative and medicine NIPPON SHINYAKU CO., LTD. (JP) 2013-11-19 US disclosed
US-20130131082-A1 Aminopyrazine Derivative and Medicine NIPPON SHINYAKU CO., LTD (JP) 2013-05-23 US disclosed
EP-2394999-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2011-12-14 EP disclosed
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2011-11-24 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 (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-20130131082-A1 Aminopyrazine Derivative and Medicine MC2R, AGTR2, AGTR1 NR2E1 169/4885CYP2E1 330/4885CYP2A6 828/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R NR2E1 237/4885CYP2E1 392/4885CYP2A6 687/4885

“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.