SCHEMBL10204067

SCHEMBL10204067

CN1CCN(c2cccc(Cn3ncc4cnc(Nc5cnn(C)c5)nc43)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.49
▸ JAK2 O60674 8/20 0.48
▸ JAK1 P23458 4/20 0.48
▸ BRD4 O60885 5/20 0.46
▸ NTRK1 P04629 2/20 0.45
▸ NTRK3 Q16288 1/20 0.45
▸ NTRK2 Q16620 1/20 0.45
▸ CDK4 P11802 4/20 0.45
▸ AURKA O14965 3/20 0.45
▸ STAT6 P42226 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ BTK Q06187 1/20 0.45
▸ CCND1 P24385 1/20 0.44
▸ CCND2 P30279 1/20 0.44
▸ CCND3 P30281 1/20 0.44
▸ FLT3 P36888 1/20 0.43
▸ BRD2 P25440 2/20 0.43
▸ BRD3 Q15059 2/20 0.43
▸ BRDT Q58F21 2/20 0.43

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
SCHEMBL672851 0.93 JAK3 (0.49) JAK3JAK2JAK1BRD4CDK4
SCHEMBL10203356 0.91 JAK3 (0.48) JAK3JAK2JAK1BRD4CDK4
SCHEMBL672966 0.91 JAK3 (0.48) JAK3JAK2JAK1BRD4CDK4
SCHEMBL1662524 0.91 STAT6 (0.51) JAK3JAK2JAK1BRD4NTRK1
SCHEMBL10205374 0.90 JAK3 (0.49) JAK3JAK2JAK1BRD4STAT6
SCHEMBL674332 0.90 JAK2 (0.48) JAK3JAK2JAK1BRD4CDK4
SCHEMBL671512 0.89 JAK3 (0.46) JAK3JAK2JAK1BRD4NTRK1
SCHEMBL672329 0.88 JAK3 (0.51) JAK3JAK2JAK1EGFRTYK2
SCHEMBL12796127 0.86 JAK3 (0.46) JAK3JAK2JAK1CDK4TYK2
SCHEMBL671882 0.86 JAK3 (0.50) JAK3JAK2JAK1TYK2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 — — US claimed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 — — US claimed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 — — US claimed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 — — US disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 — — US disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 — — 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-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
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 — — US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 — — US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 — — US disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 — — WO disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 — — 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 (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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885JAK1 1/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885JAK1 1/4885

“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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