SCHEMBL10207355

SCHEMBL10207355

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.47
JAK2 O60674 9/20 0.47
TYK2 P29597 7/20 0.47
HDAC6 Q9UBN7 2/20 0.45
JAK3 P52333 6/20 0.44
LRRK2 Q5S007 3/20 0.43
AXL P30530 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 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
SCHEMBL10207996 0.91 LRRK2 (0.52) JAK1JAK2TYK2HDAC6JAK3
SCHEMBL10167391 0.83 JAK1 (0.49) JAK1JAK2TYK2HDAC6JAK3
SCHEMBL31299827 0.82 SYK (0.44) JAK1JAK2TYK2JAK3MERTK
SCHEMBL342907 0.82 JAK1 (0.46) JAK1JAK2TYK2HDAC6JAK3
SCHEMBL10167377 0.81 BRD4 (0.49) JAK2JAK3LRRK2
SCHEMBL10167421 0.81 HDAC6 (0.48) JAK1JAK2TYK2HDAC6JAK3
SCHEMBL15428749 0.80 JAK1 (0.47) JAK1JAK2TYK2HDAC6JAK3
SCHEMBL10167369 0.79 SYK (0.40) JAK1JAK2TYK2JAK3AXL
SCHEMBL26109534 0.79 JAK2 (0.42) JAK1JAK2TYK2JAK3LRRK2
SCHEMBL10167370 0.78 DRD2 (0.47) JAK1JAK2JAK3

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 3 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-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 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.