SCHEMBL1366564

SCHEMBL1366564

Cc1cc(Cl)nc(NC(C)c2ccc(F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 9/20 0.48
NTRK1 P04629 3/20 0.46
KRAS P01116 1/20 0.44
SOS1 Q07889 1/20 0.44
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
MAPK14 Q16539 3/20 0.40
GRK6 P43250 1/20 0.40

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
SCHEMBL1366562 1.00 GPR55 (0.48) GPR55NTRK1KRASSOS1PSEN1
SCHEMBL1365910 0.87 NTRK1 (0.47) GPR55NTRK1JAK2JAK3LIMK1
SCHEMBL1365913 0.87 NTRK1 (0.47) GPR55NTRK1JAK2JAK3LIMK1
SCHEMBL15436241 0.81 NTRK1 (0.46) GPR55NTRK1PSEN1PSEN2APH1B
SCHEMBL27831875 0.81 NTRK1 (0.41) GPR55NTRK1PSEN1PSEN2APH1B
SCHEMBL1368868 0.80 PTGER4 (0.43) NTRK1MAPK14
SCHEMBL1368867 0.80 PTGER4 (0.43) NTRK1MAPK14
SCHEMBL1367922 0.80 NTRK1 (0.40) GPR55NTRK1MAPK14
SCHEMBL1367919 0.80 NTRK1 (0.40) GPR55NTRK1MAPK14
SCHEMBL27831876 0.80 NTRK1 (0.40) GPR55NTRK1PSEN1PSEN2APH1B

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-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
CN-102307869-A Aminopyrazine derivative and medicine NIPPON SHINYAKU CO LTD 2012-01-04 CN 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 GPR55 204/4885NTRK1 1477/4885KRAS 312/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R GPR55 222/4885NTRK1 1475/4885KRAS 437/4885

“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.