SCHEMBL1369836

SCHEMBL1369836

C[C@H](Nc1nc(Cl)cc(Cl)n1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.46
IDH1 O75874 8/20 0.43
KCNH3 Q9ULD8 1/20 0.43
ATP1A1 P05023 1/20 0.40
ATP1B1 P05026 1/20 0.40
ATP1A3 P13637 1/20 0.40
ATP1B2 P14415 1/20 0.40
ATP1A2 P50993 1/20 0.40
ATP1B3 P54709 1/20 0.40
FXYD2 P54710 1/20 0.40
ATP1A4 Q13733 1/20 0.40
KCNN3 Q9UGI6 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
ADRB2 P07550 1/20 0.39
PDE1C Q14123 1/20 0.39
CAMK2D Q13557 1/20 0.39

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
SCHEMBL1369837 1.00 GRK6 (0.46) GRK6IDH1KCNH3ATP1A1ATP1B1
SCHEMBL1365884 0.86 NTRK1 (0.50) GRK6KCNH3
SCHEMBL1365887 0.86 NTRK1 (0.50) GRK6KCNH3
SCHEMBL7016449 0.86 IDH1 (0.55) GRK6IDH1KCNH3KCNN3
SCHEMBL27850412 0.81 IDH1 (0.51) IDH1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL10811543 0.78 GAA (0.60) KCNH3KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL7018923 0.77 IDH1 (0.51) IDH1KCNN3ALDH1A1
SCHEMBL26614738 0.75 ATP1A1 (0.44) IDH1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL26614742 0.75 ATP1A1 (0.44) IDH1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL7625171 0.71 TSHR (0.52) KDM4ECYP1A2CYP2C9CYP2C19ATM

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 4 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
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
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 GRK6 895/4885IDH1 410/4885KCNH3 378/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R GRK6 938/4885IDH1 662/4885KCNH3 522/4885

“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.