SCHEMBL10203369

SCHEMBL10203369

Cn1cc(Nc2ncc3cnn(Cc4cccc(-c5cn[nH]c5)c4)c3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.49
▸ AURKA O14965 1/20 0.45
▸ GRK2 P25098 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ RPS6KA1 Q15418 1/20 0.45
▸ IGF1R P08069 2/20 0.44
▸ JAK2 O60674 7/20 0.43
▸ JAK1 P23458 5/20 0.43
▸ TYK2 P29597 4/20 0.43
▸ MET P08581 3/20 0.42
▸ MAP3K5 Q99683 2/20 0.41
▸ MAP4K1 Q92918 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CLK3 P49761 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ HIPK1 Q86Z02 1/20 0.40
▸ HIPK2 Q9H2X6 1/20 0.40
▸ HIPK3 Q9H422 1/20 0.40
▸ CLK4 Q9HAZ1 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
SCHEMBL15122444 0.89 IGF1R (0.54) JAK3IGF1RJAK2JAK1TYK2
SCHEMBL12797316 0.86 JAK3 (0.49) JAK3IGF1RJAK2JAK1TYK2
SCHEMBL10203368 0.85 MET (0.54) JAK3AURKAIGF1RJAK2JAK1
SCHEMBL12796159 0.84 JAK3 (0.48) JAK3IGF1RJAK2JAK1TYK2
SCHEMBL15122407 0.84 JAK3 (0.51) JAK3IGF1RJAK2JAK1TYK2
SCHEMBL10203372 0.83 JAK3 (0.53) JAK3IGF1RJAK2JAK1TYK2
SCHEMBL12797095 0.83 JAK3 (0.53) JAK3IGF1RJAK2JAK1TYK2
SCHEMBL10203859 0.82 MET (0.55) JAK3IGF1RJAK2JAK1TYK2
SCHEMBL1662535 0.82 JAK3 (0.55) JAK3IGF1RJAK2JAK1TYK2
SCHEMBL1662508 0.82 JAK3 (0.54) JAK3JAK2JAK1TYK2MET

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-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 — — US disclosed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 — — US disclosed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 — — US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 — — US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 — — US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 — — US disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 — — WO 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 (1 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-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885AURKA 895/4885GRK2 723/4885

“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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