SCHEMBL12969372

SCHEMBL12969372

N#Cc1ccccc1Cn1ncc2cnc(Nc3cnn(CCCN)c3)nc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.49
JAK3 P52333 11/20 0.49
JAK1 P23458 11/20 0.49
HDAC6 Q9UBN7 11/20 0.45
TYK2 P29597 6/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC3 O15379 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
EIF2AK4 Q9P2K8 2/20 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 0.91 JAK2 (0.47) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL12801916 0.90 JAK2 (0.49) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL12802000 0.90 JAK2 (0.47) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL12801944 0.88 JAK3 (0.59) JAK2JAK3JAK1TYK2EIF2AK4
SCHEMBL12806721 0.88 JAK3 (0.56) JAK2JAK3JAK1TYK2EIF2AK4
SCHEMBL12797011 0.87 JAK2 (0.47) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL1662879 0.86 JAK3 (0.46) JAK2JAK3JAK1TYK2
SCHEMBL1663300 0.85 JAK2 (0.47) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL12802004 0.83 JAK2 (0.53) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL12797296 0.82 JAK3 (0.47) JAK2JAK3JAK1HDAC6TYK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.