SCHEMBL10203368

SCHEMBL10203368

CC(C)n1cc(-c2cccc(Cn3ncc4cnc(Nc5cnn(C)c5)nc43)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 8/20 0.54
▸ IGF1R P08069 4/20 0.49
▸ JAK3 P52333 5/20 0.47
▸ AURKA O14965 1/20 0.46
▸ LIMK1 P53667 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ MAP4K1 Q92918 1/20 0.44
▸ JAK2 O60674 3/20 0.42
▸ TTK P33981 1/20 0.42
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41

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 0.92 IGF1R (0.54) METIGF1RJAK3JAK2JAK1
SCHEMBL15122407 0.87 JAK3 (0.51) METIGF1RJAK3MAP4K1JAK2
SCHEMBL10203372 0.86 JAK3 (0.53) METIGF1RJAK3JAK2JAK1
SCHEMBL12797316 0.85 JAK3 (0.49) METIGF1RJAK3JAK2JAK1
SCHEMBL10203859 0.85 MET (0.55) METIGF1RJAK3MAP4K1JAK2
SCHEMBL10203369 0.85 JAK3 (0.49) METIGF1RJAK3AURKAMAP4K1
SCHEMBL10203860 0.83 JAK3 (0.56) METIGF1RJAK3MAP4K1JAK2
SCHEMBL12797132 0.83 JAK3 (0.51) METIGF1RJAK3JAK2TTK
SCHEMBL12796159 0.83 JAK3 (0.48) METIGF1RJAK3JAK2JAK1
SCHEMBL15122430 0.82 JAK3 (0.53) METIGF1RJAK3JAK2JAK1

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 MET 4178/4885IGF1R 2463/4885JAK3 2/4885

“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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