SCHEMBL1367669

SCHEMBL1367669

CC(Nc1cccc(Cl)n1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR55 Q9Y2T6 6/20 0.46
▸ NTRK1 P04629 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTR7 P34969 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CCNE2 O96020 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ MAPK14 Q16539 3/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ LIMK1 P53667 1/20 0.40
▸ LIMK2 P53671 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
SCHEMBL1367667 1.00 GPR55 (0.46) GPR55NTRK1ALDH1A1GAALMNA
SCHEMBL3515072 0.80 AURKA (0.52) GPR55NTRK1AURKAAURKB
SCHEMBL1365910 0.80 NTRK1 (0.47) GPR55NTRK1MAPK14JAK2JAK3
SCHEMBL3557473 0.80 AURKA (0.52) GPR55NTRK1AURKAAURKB
SCHEMBL13313087 0.80 AURKA (0.52) GPR55NTRK1AURKAAURKB
SCHEMBL1365913 0.80 NTRK1 (0.47) GPR55NTRK1MAPK14JAK2JAK3
SCHEMBL14676793 0.80 JAK2 (0.51) NTRK1CCNE1CDK2AURKAAURKB
SCHEMBL14676792 0.80 JAK2 (0.51) NTRK1CCNE1CDK2AURKAAURKB
SCHEMBL15436245 0.79 NTRK1 (0.41) GPR55NTRK1CCNE2CCNE1CDK2
SCHEMBL1366562 0.79 GPR55 (0.48) GPR55NTRK1MAPK14JAK2JAK3

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
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
EP-2383268-A1 Pyrazolylaminopyridine derivatives useful as kinase inhibitors AstraZeneca AB (SE) 2011-11-02 — — EP disclosed
CN-101155800-A Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2008-04-02 — — CN 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 1477/4885ALDH1A1 1798/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R GPR55 222/4885NTRK1 1475/4885ALDH1A1 2121/4885

“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.

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