SCHEMBL342482

SCHEMBL342482

CN(C)S(=O)(=O)c1ccc(Nc2ncc3cnn(C[C@H]4CC[C@H](N)CC4)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.47
GSK3B P49841 7/20 0.47
CDK1 P06493 9/20 0.46
MERTK Q12866 3/20 0.46
CHEK1 O14757 1/20 0.46
SYK P43405 1/20 0.46
AURKA O14965 7/20 0.43
CCNB1 P14635 7/20 0.43
CDK9 P50750 1/20 0.42

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
SCHEMBL342481 1.00 CDK2 (0.47) CDK2GSK3BCDK1MERTKCHEK1
SCHEMBL343382 0.90 MERTK (0.57) CDK2GSK3BCDK1MERTKSYK
SCHEMBL31299866 0.90 MERTK (0.57) CDK2GSK3BCDK1MERTKSYK
SCHEMBL343383 0.90 MERTK (0.57) CDK2GSK3BCDK1MERTKSYK
Hydrochloric Acid SCHEMBL31299841 0.89 MERTK (0.56) CDK2GSK3BCDK1MERTKSYK
SCHEMBL341734 0.85 STK3 (0.47) CDK1MERTKSYKAURKACCNB1
SCHEMBL341735 0.85 STK3 (0.47) CDK1MERTKSYKAURKACCNB1
SCHEMBL343518 0.84 MERTK (0.43) CDK2CDK1MERTKSYKAURKA
SCHEMBL343517 0.84 MERTK (0.43) CDK2CDK1MERTKSYKAURKA
SCHEMBL343683 0.83 MERTK (0.51) MERTK

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 4 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 claimed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US claimed
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

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 CDK2 6/4885GSK3B 573/4885CDK1 10/4885

“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.