SCHEMBL1662531

SCHEMBL1662531

Cc1cc(Nc2ncc3cnn(Cc4ccccc4C#N)c3n2)nn1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.41
MAP3K14 Q99558 1/20 0.40
NPBWR1 P48145 1/20 0.38
JAK2 O60674 4/20 0.37
JAK1 P23458 3/20 0.37
JAK3 P52333 2/20 0.37
PTK2 Q05397 2/20 0.35
BUB1 O43683 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL12797025 0.85 IGF1R (0.42) IGF1RJAK3
SCHEMBL12801989 0.85 LRRK2 (0.41) MAP3K14NPBWR1JAK2JAK1JAK3
SCHEMBL1662493 0.85 MAPK1 (0.42) MAP3K14NPBWR1JAK2JAK1JAK3
SCHEMBL12802046 0.81 LRRK2 (0.41) MAP3K14NPBWR1JAK2JAK1JAK3
SCHEMBL12801915 0.80 MAP3K14 (0.40) IGF1RMAP3K14NPBWR1JAK2JAK1
SCHEMBL1662480 0.80 NPBWR1 (0.37) IGF1RNPBWR1JAK2JAK1JAK3
SCHEMBL1662879 0.80 JAK3 (0.46) JAK2JAK1JAK3
SCHEMBL12801967 0.78 LRRK2 (0.41) NPBWR1JAK2JAK1JAK3PTK2
SCHEMBL12801929 0.78 LRRK2 (0.44) MAP3K14NPBWR1JAK2JAK1JAK3
SCHEMBL1665827 0.77 JAK3 (0.39) NPBWR1JAK2JAK1JAK3PTK2

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 10 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-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-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
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP 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 (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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 IGF1R 2149/4885MAP3K14 189/4885NPBWR1 2415/4885

“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.