SCHEMBL344026

SCHEMBL344026

Cn1cc(Nc2ncc3cnn(C[C@H]4CC[C@H](CN(C(=O)O)C(C)(C)C)CC4)c3n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.42
JAK3 P52333 10/20 0.42
JAK2 O60674 10/20 0.42
TYK2 P29597 7/20 0.42
LRRK2 Q5S007 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AURKA O14965 1/20 0.40

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
SCHEMBL342907 0.91 JAK1 (0.46) JAK1JAK3JAK2TYK2HDAC6
SCHEMBL15428739 0.85 JAK1 (0.44) JAK1JAK3JAK2TYK2LRRK2
SCHEMBL342530 0.84 CDK4 (0.47) JAK3JAK2AURKA
SCHEMBL343335 0.84 AURKA (0.43) JAK1JAK3AURKA
SCHEMBL342956 0.82 CDK1 (0.39) JAK1JAK3JAK2TYK2AURKA
SCHEMBL15428785 0.81 CDK2 (0.46) JAK3JAK2TYK2LRRK2AURKA
SCHEMBL343818 0.81 CDK2 (0.46) JAK3JAK2TYK2LRRK2AURKA
SCHEMBL10167389 0.81 JAK1 (0.45) JAK1JAK3JAK2TYK2LRRK2
SCHEMBL343114 0.80 CRHR1 (0.33)
SCHEMBL344186 0.80 JAK1 (0.45) JAK1JAK3JAK2TYK2LRRK2

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 79/4885JAK3 82/4885JAK2 217/4885

“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.