SCHEMBL342907

SCHEMBL342907

CC(C)(C)N(C[C@H]1CC[C@H](Cn2ncc3cnc(Nc4cnn(CCO)c4)nc32)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.46
JAK2 O60674 11/20 0.46
TYK2 P29597 8/20 0.46
HDAC6 Q9UBN7 2/20 0.45
JAK3 P52333 8/20 0.43

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
SCHEMBL344026 0.91 JAK1 (0.42) JAK1JAK2TYK2HDAC6JAK3
SCHEMBL15428749 0.86 JAK1 (0.47) JAK1JAK2TYK2HDAC6JAK3
SCHEMBL10167391 0.84 JAK1 (0.49) JAK1JAK2TYK2HDAC6JAK3
SCHEMBL10167421 0.82 HDAC6 (0.48) JAK1JAK2TYK2HDAC6JAK3
SCHEMBL10207355 0.82 JAK1 (0.47) JAK1JAK2TYK2HDAC6JAK3
SCHEMBL342530 0.81 CDK4 (0.47) JAK2JAK3
SCHEMBL343335 0.81 AURKA (0.43) JAK1JAK3
SCHEMBL342956 0.79 CDK1 (0.39) JAK1JAK2TYK2JAK3
SCHEMBL343818 0.78 CDK2 (0.46) JAK2TYK2JAK3
SCHEMBL15428785 0.78 CDK2 (0.46) JAK2TYK2JAK3

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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 JAK1 79/4885JAK2 217/4885TYK2 344/4885

“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.