SCHEMBL343799

SCHEMBL343799

c1ccc(Nc2ccc(Nc3ncc4cnn(CC5CCCCC5)c4n3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.62
CCND1 P24385 8/20 0.62
CCND2 P30279 5/20 0.62
CCND3 P30281 5/20 0.62
CCNA2 P20248 2/20 0.49
CDK2 P24941 2/20 0.49
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR4 P22455 1/20 0.49
FGFR3 P22607 1/20 0.49
AURKA O14965 6/20 0.45
CDK1 P06493 6/20 0.45
CCNB1 P14635 6/20 0.45
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK9 P45984 1/20 0.43
HIF1A Q16665 1/20 0.43
MERTK Q12866 1/20 0.42
CSNK2A1 P68400 1/20 0.42
USP2 O75604 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
SCHEMBL344028 0.86 AURKA (0.52) CDK4CCND1CCND2CCND3AURKA
SCHEMBL1355464 0.86 CDK4 (0.57) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL343460 0.82 CDK4 (0.62) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL31299863 0.82 CDK4 (0.46) CDK4CCND1CCND2CCND3CDK2
SCHEMBL12174918 0.82 JAK1 (0.47) CDK4CCND1CCND2CCND3AURKA
SCHEMBL31299846 0.81 CDK2 (0.49) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL31299864 0.81 CDK4 (0.45) CDK4CCND1CCND2CCND3FGFR4
SCHEMBL343484 0.81 AURKA (0.46) CDK4CCND1CCND2CCND3AURKA
SCHEMBL343483 0.81 AURKA (0.46) CDK4CCND1CCND2CCND3AURKA
SCHEMBL31299830 0.81 CDK1 (0.50) CDK4CCND1CCND2CCND3CDK2

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.