SCHEMBL1662569

SCHEMBL1662569

Cc1c(Nc2ncc3cnn(Cc4ccccc4)c3n2)cnn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
LRRK2 Q5S007 4/20 0.43
JAK3 P52333 1/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
RECQL P46063 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
BRD4 O60885 2/20 0.39
BRD9 Q9H8M2 2/20 0.39
KAT2B Q92831 1/20 0.39
TSHR P16473 2/20 0.39
JAK2 O60674 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL12795250 0.85 MAPK1 (0.44) MAPK1LRRK2JAK3KAT2BCYP1A2
SCHEMBL1662493 0.82 MAPK1 (0.42) MAPK1LRRK2JAK3CDK4CCND3
SCHEMBL1662520 0.82 LRRK2 (0.43) MAPK1LRRK2JAK3CDK4CCND1
SCHEMBL1663022 0.79 JAK3 (0.42) LRRK2JAK3CDK4CCND1CCND2
SCHEMBL672881 0.78 ALK (0.55) JAK3CDK4CCND1CCND2CCND3
SCHEMBL12797348 0.78 LRRK2 (0.44) MAPK1LRRK2JAK3CDK4CCND1
SCHEMBL12797358 0.75 LRRK2 (0.38) LRRK2JAK3CDK4CCND1CCND2
SCHEMBL1664795 0.74 JAK3 (0.44) MAPK1LRRK2JAK3ALDH1A1MAPT
SCHEMBL31299871 0.73 PTGS2 (0.49) JAK3CDK4CCND1CCND2CCND3
SCHEMBL1663056 0.72 JAK3 (0.49) JAK3CDK4CCND1CCND2CCND3

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 11 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
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 MAPK1 59/4885LRRK2 2904/4885JAK3 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.