SCHEMBL12797348

SCHEMBL12797348

COc1nn(C)cc1Nc1ncc2cnn(Cc3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.44
JAK3 P52333 2/20 0.42
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
HTT P42858 2/20 0.40
USP1 O94782 5/20 0.40
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
NPBWR1 P48145 1/20 0.38
KCNH2 Q12809 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38

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
SCHEMBL1664795 0.88 JAK3 (0.44) LRRK2JAK3ALDH1A1HSD17B10LMNA
SCHEMBL1662520 0.86 LRRK2 (0.43) LRRK2JAK3ALDH1A1LMNAMAPT
SCHEMBL12795371 0.85 JAK3 (0.40) LRRK2JAK3ALDH1A1HSD17B10LMNA
SCHEMBL672881 0.78 ALK (0.55) JAK3JAK2JAK1CDK4CCND1
SCHEMBL1662569 0.78 MAPK1 (0.48) LRRK2JAK3ALDH1A1HSD17B10LMNA
SCHEMBL1663022 0.77 JAK3 (0.42) LRRK2JAK3ALDH1A1MAPTJAK2
SCHEMBL12796184 0.76 JAK3 (0.39) LRRK2JAK3JAK2JAK1
SCHEMBL12797055 0.76 JAK3 (0.41) LRRK2JAK3ALDH1A1JAK2JAK1
SCHEMBL1662535 0.74 JAK3 (0.55) JAK3ALDH1A1HSD17B10LMNAALOX15
SCHEMBL12801993 0.74 NPBWR1 (0.40) LRRK2JAK3JAK2JAK1USP1

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 9 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
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 LRRK2 2904/4885JAK3 2/4885ALDH1A1 2233/4885

“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.