SCHEMBL12802000

SCHEMBL12802000

N#CCCn1cc(Nc2ncc3cnn(Cc4ccccc4C#N)c3n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.47
JAK3 P52333 11/20 0.47
JAK1 P23458 11/20 0.47
TYK2 P29597 8/20 0.46
STAT3 P40763 4/20 0.46
HDAC6 Q9UBN7 7/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EIF2AK4 Q9P2K8 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 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
SCHEMBL12801984 0.95 JAK2 (0.47) JAK2JAK3JAK1TYK2STAT3
SCHEMBL12801916 0.91 JAK2 (0.49) JAK2JAK3JAK1TYK2HDAC6
SCHEMBL12969372 0.90 JAK2 (0.49) JAK2JAK3JAK1TYK2HDAC6
SCHEMBL12801944 0.89 JAK3 (0.59) JAK2JAK3JAK1TYK2EIF2AK4
SCHEMBL12806721 0.88 JAK3 (0.56) JAK2JAK3JAK1TYK2EIF2AK4
SCHEMBL1662879 0.87 JAK3 (0.46) JAK2JAK3JAK1TYK2STAT3
SCHEMBL1663300 0.86 JAK2 (0.47) JAK2JAK3JAK1TYK2HDAC6
SCHEMBL12802004 0.84 JAK2 (0.53) JAK2JAK3JAK1TYK2HDAC6
SCHEMBL12801987 0.82 AURKA (0.48) JAK2JAK3JAK1TYK2
SCHEMBL1665827 0.80 JAK3 (0.39) JAK2JAK3JAK1

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 8 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

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 JAK2 3/4885JAK3 2/4885JAK1 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.