SCHEMBL12796231

SCHEMBL12796231

Cn1cc(Nc2ncc3cnn(Cc4cccc(F)c4)c3n2)cn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.52
▸ JAK2 O60674 11/20 0.51
▸ JAK1 P23458 9/20 0.51
▸ TYK2 P29597 5/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ STAT6 P42226 1/20 0.47
▸ MET P08581 1/20 0.44
▸ FSCN1 Q16658 1/20 0.44
▸ CDK4 P11802 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CCND2 P30279 1/20 0.43
▸ CCND3 P30281 1/20 0.43
▸ TTK P33981 1/20 0.43
▸ CDK19 Q9BWU1 2/20 0.42
▸ ALK Q9UM73 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42

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
SCHEMBL12796365 0.91 SRC (0.46) JAK3JAK2JAK1TYK2HDAC1
SCHEMBL12796380 0.89 STAT6 (0.47) JAK3JAK2JAK1TYK2HDAC1
SCHEMBL12797095 0.89 JAK3 (0.53) JAK3JAK2JAK1TYK2MET
SCHEMBL1662547 0.88 IGF1R (0.53) JAK3JAK2JAK1TYK2
SCHEMBL671464 0.88 JAK3 (0.52) JAK3JAK2JAK1TYK2HDAC6
SCHEMBL1662508 0.88 JAK3 (0.54) JAK3JAK2JAK1TYK2HDAC1
SCHEMBL12797065 0.88 IGF1R (0.52) JAK3JAK2JAK1TYK2HDAC6
SCHEMBL12797072 0.88 JAK3 (0.52) JAK3JAK2JAK1TYK2MET
SCHEMBL12797347 0.87 JAK3 (0.47) JAK3JAK2JAK1TYK2HDAC1
SCHEMBL672881 0.87 ALK (0.55) JAK3JAK2JAK1TYK2HDAC6

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 JAK3 2/4885JAK2 3/4885JAK1 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.

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