SCHEMBL343786

SCHEMBL343786

CN1CCN(c2ccc(Nc3ncc4cnn(C5CCC(OC(=O)NC(C)(C)C)CC5)c4n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.54
CCND1 P24385 7/20 0.54
CCND2 P30279 6/20 0.54
CCND3 P30281 6/20 0.54
CCNE2 O96020 4/20 0.50
CCNE1 P24864 4/20 0.50
CDK2 P24941 4/20 0.50
CCNA2 P20248 3/20 0.50
CCNA1 P78396 3/20 0.50
PAK4 O96013 1/20 0.50
PAK1 Q13153 1/20 0.50
PKN1 Q16512 1/20 0.50
NUAK1 O60285 1/20 0.49
MARK3 P27448 1/20 0.49
MARK2 Q7KZI7 1/20 0.49
MARK4 Q96L34 1/20 0.49
NUAK2 Q9H093 1/20 0.49
MARK1 Q9P0L2 1/20 0.49
CDK1 P06493 3/20 0.49
FGFR4 P22455 3/20 0.49

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
SCHEMBL343787 0.84 CDK4 (0.54) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL341737 0.82 EGFR (0.65) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL344178 0.81 CDK4 (0.71) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL344014 0.80 CDK4 (0.73) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL1355087 0.80 CDK4 (0.73) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL12639348 0.80 EGFR (0.61) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL343214 0.79 CDK4 (0.59) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL1355734 0.76 CDK4 (0.69) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL12639344 0.76 CDK4 (0.69) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL12639370 0.75 CDK1 (0.56) CDK4CCND1CCND2CCND3CCNE2

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 CDK4 71/4885CCND1 272/4885CCND2 308/4885

“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.