SCHEMBL12901126

SCHEMBL12901126

Cc1cccc(NC(C)(C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 17/20 0.83
CDK2 P24941 15/20 0.83
CDK3 Q00526 14/20 0.83
AURKA O14965 13/20 0.83
GRK2 P25098 4/20 0.83
CDK1 P06493 2/20 0.83
CCNB1 P14635 2/20 0.83

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
SCHEMBL1275134 0.91 CCNE1 (1.00) CCNE1CDK2CDK3AURKAGRK2
SCHEMBL12901138 0.90 CCNE1 (1.00) CCNE1CDK2CDK3AURKAGRK2
SCHEMBL12901131 0.88 CCNE1 (1.00) CCNE1CDK2CDK3AURKAGRK2
SCHEMBL12901124 0.88 AURKA (1.00) CCNE1CDK2CDK3AURKAGRK2
SCHEMBL12901137 0.86 AURKA (0.82) CCNE1CDK2CDK3AURKAGRK2
SCHEMBL12935052 0.84 CCNE1 (0.75) CCNE1CDK2CDK3AURKAGRK2
SCHEMBL12936069 0.84 CCNE1 (0.83) CCNE1CDK2CDK3AURKAGRK2
SCHEMBL12936126 0.84 CCNE1 (0.82) CCNE1CDK2CDK3AURKAGRK2
SCHEMBL1273020 0.83 CCNE1 (1.00) CCNE1CDK2CDK3AURKAGRK2
SCHEMBL12901167 0.83 CCNE1 (0.84) CCNE1CDK2CDK3AURKAGRK2

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-7879887-B2 such as 2-(4-chloro-3-hydroxyphenylamino)-N-(6H-pyrazolo[4',3':3,4]benzo[1,2-d]thiazol-2-yl)-acetamide, having antitumor activity, particularly dual inhibitory activity on Aurora kinase and cyclin-dependent kinase (CDK), and are useful for cell proliferative diseases such as cancer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-02-01 US disclosed
US-7879887-B2 such as 2-(4-chloro-3-hydroxyphenylamino)-N-(6H-pyrazolo[4',3':3,4]benzo[1,2-d]thiazol-2-yl)-acetamide, having antitumor activity, particularly dual inhibitory activity on Aurora kinase and cyclin-dependent kinase (CDK), and are useful for cell proliferative diseases such as cancer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-02-01 US disclosed
US-20090275623-A1 ALPHA-AMINO ACID DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME AS AN ACTIVE INGREDIENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-11-05 US disclosed
US-20090275623-A1 ALPHA-AMINO ACID DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME AS AN ACTIVE INGREDIENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-11-05 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-20090275623-A1 ALPHA-AMINO ACID DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME AS AN ACTIVE INGREDIENT CCNA1, AURKA, CDK1 CCNE1 12/4885CDK2 15/4885CDK3 23/4885

“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.