SCHEMBL10167382

SCHEMBL10167382

Cn1cc(Nc2ncc3cnn(Cc4cccnc4)c3n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.48
▸ JAK2 O60674 7/20 0.46
▸ JAK1 P23458 5/20 0.46
▸ TYK2 P29597 4/20 0.46
▸ PTK2 Q05397 1/20 0.46
▸ ALK Q9UM73 5/20 0.44
▸ CDK19 Q9BWU1 4/20 0.44
▸ VNN1 O95497 1/20 0.43
▸ MET P08581 2/20 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
SCHEMBL672881 0.90 ALK (0.55) JAK3JAK2JAK1TYK2ALK
SCHEMBL12797095 0.85 JAK3 (0.53) JAK3JAK2JAK1TYK2ALK
SCHEMBL12797316 0.85 JAK3 (0.49) JAK3JAK2JAK1TYK2ALK
SCHEMBL12797072 0.84 JAK3 (0.52) JAK3JAK2JAK1TYK2ALK
SCHEMBL12797065 0.84 IGF1R (0.52) JAK3JAK2JAK1TYK2ALK
SCHEMBL671464 0.84 JAK3 (0.52) JAK3JAK2JAK1TYK2ALK
SCHEMBL12796231 0.84 JAK3 (0.52) JAK3JAK2JAK1TYK2ALK
SCHEMBL1662508 0.84 JAK3 (0.54) JAK3JAK2JAK1TYK2ALK
SCHEMBL12797347 0.83 JAK3 (0.47) JAK3JAK2JAK1TYK2ALK
SCHEMBL15122444 0.83 IGF1R (0.54) JAK3JAK2JAK1TYK2MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 — — US disclosed
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 — — US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 — — US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 — — US disclosed
WO-2011156698-A2 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2011-12-15 — — 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 JAK3 82/4885JAK2 217/4885JAK1 79/4885

“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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