SCHEMBL1355734

SCHEMBL1355734

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc4cnn(C5CCCCCC5)c4n3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.69
CCND3 P30281 7/20 0.69
CCND1 P24385 7/20 0.69
CCND2 P30279 6/20 0.69
CDK2 P24941 5/20 0.57
CCNA2 P20248 4/20 0.57
CDK6 Q00534 2/20 0.57
CCNK O75909 1/20 0.57
CDK9 P50750 1/20 0.57
SYK P43405 1/20 0.56
EGFR P00533 1/20 0.54
CDK1 P06493 9/20 0.52
AURKA O14965 7/20 0.52
CCNB1 P14635 7/20 0.52
CCNE2 O96020 3/20 0.51
CCNE1 P24864 3/20 0.51
CCNA1 P78396 3/20 0.51
CCNB2 O95067 2/20 0.51
CCNB3 Q8WWL7 2/20 0.51
INSR P06213 1/20 0.51

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
SCHEMBL12639344 1.00 CDK4 (0.69) CDK4CCND3CCND1CCND2CDK2
SCHEMBL341737 0.91 EGFR (0.65) CDK4CCND3CCND1CCND2CDK2
SCHEMBL12639355 0.91 CDK4 (0.58) CDK4CCND3CCND1CCND2CDK2
SCHEMBL12639370 0.88 CDK1 (0.56) CDK4CCND3CCND1CCND2CDK2
SCHEMBL12639318 0.87 CDK4 (0.67) CDK4CCND3CCND1CCND2CDK2
SCHEMBL14681894 0.87 CDK4 (0.75) CDK4CCND3CCND1CCND2CDK2
SCHEMBL3837154 0.86 CDK4 (0.56) CDK4CCND3CCND1CCND2CDK2
SCHEMBL11976969 0.86 CDK4 (0.68) CDK4CCND3CCND1CCND2CDK2
SCHEMBL11977226 0.83 CDK4 (0.68) CDK4CCND3CCND1CCND2CDK2
SCHEMBL12672279 0.83 CDK4 (0.53) CDK4CCND3CCND1CCND2CDK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 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 (2 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885CCND3 196/4885CCND1 160/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885CCND3 196/4885CCND1 160/4885

“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.