Sugi Predict

Sugi Predict / Compounds / SCHEMBL1368005

SCHEMBL1368005

SCHEMBL1368005

CN1CCN(c2cc(-c3cnc4c(n3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)ccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 0.64
▸ JAK2 O60674 2/20 0.64
▸ PRKD3 O94806 2/20 0.64
▸ MAP4K4 O95819 2/20 0.64
▸ ABL1 P00519 2/20 0.64
▸ LCK P06239 2/20 0.64
▸ CSF1R P07333 2/20 0.64
▸ RET P07949 2/20 0.64
▸ MET P08581 2/20 0.64
▸ FGFR1 P11362 2/20 0.64
▸ LTK P29376 2/20 0.64
▸ FLT3 P36888 2/20 0.64
▸ PTK2 Q05397 2/20 0.64
▸ MAP4K2 Q12851 2/20 0.64
▸ NTRK2 Q16620 2/20 0.64
▸ TAOK1 Q7L7X3 2/20 0.64
▸ AURKB Q96GD4 2/20 0.64
▸ MAP4K5 Q9Y4K4 2/20 0.64
▸ CHEK1 O14757 1/20 0.64
▸ AURKA O14965 1/20 0.64

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
SCHEMBL12147230 0.91 ALK (0.54) ALKJAK2PRKD3MAP4K4ABL1
SCHEMBL1367923 0.83 ALK (0.62) ALKJAK2PRKD3MAP4K4ABL1
SCHEMBL1368744 0.82 ALK (0.62) ALKJAK2PRKD3MAP4K4ABL1
SCHEMBL1370038 0.81 ALK (0.52) ALKJAK2PRKD3MAP4K4ABL1
SCHEMBL1366338 0.79 ALK (0.74) ALKJAK2PRKD3MAP4K4ABL1
SCHEMBL1601065 0.78 ALK (1.00) ALKJAK2PRKD3MAP4K4ABL1
SCHEMBL1369150 0.77 ALK (0.56) ALKJAK2PRKD3MAP4K4ABL1
SCHEMBL31060355 0.77 ALK (1.00) ALKJAK2PRKD3MAP4K4ABL1
SCHEMBL1600362 0.77 ALK (1.00) ALKJAK2PRKD3MAP4K4ABL1
SCHEMBL1601208 0.76 ALK (1.00) ALKJAK2PRKD3MAP4K4ABL1

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-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 — — US claimed
EP-2365809-B1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2018-07-18 — — EP disclosed
EP-2365809-B1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2018-07-18 — — EP disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 — — US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 — — US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 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-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 ALK 286/4885JAK2 151/4885PRKD3 130/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 ALK 286/4885JAK2 151/4885PRKD3 130/4885

“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.