SCHEMBL12801908

SCHEMBL12801908

O=C1CNCCN1c1ccc(F)c(Cn2ncc3cnc(Nc4cnn(CCO)c4)nc32)c1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.44
JAK2 O60674 14/20 0.44
JAK1 P23458 11/20 0.44
TYK2 P29597 6/20 0.38
HDAC6 Q9UBN7 5/20 0.38
HDAC1 Q13547 4/20 0.38
AXL P30530 3/20 0.38
TYRO3 Q06418 3/20 0.38
MERTK Q12866 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL671731 0.90 BRAF (0.39) JAK3JAK2JAK1TYK2
SCHEMBL671917 0.88 JAK3 (0.41) JAK3JAK2JAK1TYK2HDAC6
SCHEMBL12797343 0.88 JAK3 (0.46) JAK3JAK2JAK1TYK2HDAC6
SCHEMBL12797333 0.87 JAK3 (0.44) JAK3JAK2JAK1TYK2HDAC6
SCHEMBL672111 0.84 JAK3 (0.42) JAK3JAK2JAK1TYK2HDAC6
SCHEMBL673367 0.83 JAK3 (0.42) JAK3JAK2JAK1TYK2HDAC6
SCHEMBL12797280 0.83 JAK3 (0.58) JAK3JAK2JAK1TYK2HDAC6
SCHEMBL671487 0.82 JAK3 (0.50) JAK3JAK2JAK1TYK2HDAC6
SCHEMBL10204812 0.82 JAK3 (0.46) JAK3JAK2JAK1TYK2HDAC6
SCHEMBL12797328 0.80 JAK3 (0.42) JAK3JAK2JAK1TYK2AXL

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 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.