SCHEMBL1665604

SCHEMBL1665604

COCCn1cc(Nc2ncc3cnn(Cc4ccccc4C#N)c3n2)c(C)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.48
CYP1A2 P05177 4/20 0.48
JAK3 P52333 2/20 0.42
ACVR1 Q04771 1/20 0.39
NPBWR1 P48145 1/20 0.38
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
BUB1 O43683 1/20 0.35
IGF1R P08069 1/20 0.35
CREBBP Q92793 1/20 0.34
PTK2 Q05397 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
SCHEMBL12801967 0.91 LRRK2 (0.41) LRRK2CYP1A2JAK3NPBWR1JAK2
SCHEMBL12801929 0.89 LRRK2 (0.44) LRRK2CYP1A2JAK3NPBWR1JAK2
SCHEMBL12797044 0.88 LRRK2 (0.49) LRRK2CYP1A2JAK3CYP3A4TSHR
SCHEMBL12802046 0.87 LRRK2 (0.41) LRRK2CYP1A2JAK3NPBWR1JAK2
SCHEMBL1665614 0.86 MAP3K14 (0.44) LRRK2CYP1A2JAK3NPBWR1JAK2
SCHEMBL12806721 0.85 JAK3 (0.56) LRRK2JAK3ACVR1JAK2JAK1
SCHEMBL12959676 0.85 LRRK2 (0.41) LRRK2CYP1A2JAK3NPBWR1JAK2
SCHEMBL12801993 0.83 NPBWR1 (0.40) LRRK2JAK3ACVR1NPBWR1JAK2
SCHEMBL1662493 0.80 MAPK1 (0.42) LRRK2CYP1A2JAK3NPBWR1JAK2
SCHEMBL12801990 0.79 NPBWR1 (0.39) LRRK2CYP1A2JAK3NPBWR1JAK2

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
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP claimed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO 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

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 LRRK2 2904/4885CYP1A2 592/4885JAK3 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.