SCHEMBL343368

SCHEMBL343368

O=S1(=O)CCN(c2ccc(Nc3ncc4cnn(Cc5cccnc5)c4n3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.51
AURKA O14965 2/20 0.51
FGFR4 P22455 2/20 0.48
STAT6 P42226 5/20 0.46
JAK3 P52333 2/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
JAK2 O60674 1/20 0.44
PTK2 Q05397 1/20 0.44
SYK P43405 1/20 0.44
WEE1 P30291 2/20 0.43
EGFR P00533 1/20 0.43
CCND1 P24385 4/20 0.42
CCND2 P30279 4/20 0.42
CCND3 P30281 4/20 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
SCHEMBL344496 0.89 CDK4 (0.62) CDK4AURKAFGFR4STAT6JAK3
SCHEMBL1355968 0.79 STAT6 (0.58) CDK4FGFR4STAT6WEE1EGFR
SCHEMBL10203356 0.79 JAK3 (0.48) CDK4AURKASTAT6JAK3PDGFRB
SCHEMBL342369 0.78 CDK1 (0.58) AURKAJAK3JAK2PTK2SYK
SCHEMBL31299861 0.78 PTGS1 (0.52) AURKAFGFR4JAK3JAK2PTK2
SCHEMBL15428629 0.77 CDK4 (0.48) CDK4AURKAFGFR4JAK3JAK2
SCHEMBL343052 0.77 CDK4 (0.54) CDK4AURKAFGFR4PDGFRBPDGFRA
SCHEMBL10167382 0.76 JAK3 (0.48) JAK3JAK2PTK2
SCHEMBL343790 0.75 ABL1 (0.47) CDK4JAK3PTK2SYKEGFR
SCHEMBL10192677 0.73 CDK4 (0.73) CDK4AURKAFGFR4JAK3JAK2

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 9 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-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
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 CDK4 71/4885AURKA 784/4885FGFR4 1169/4885

“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.