SCHEMBL12901289

SCHEMBL12901289

CC(C)(Nc1ccc(F)c(C(N)=O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 1.00
CDK3 Q00526 19/20 1.00
CDK2 P24941 18/20 1.00
CDK1 P06493 13/20 1.00
CCNB1 P14635 13/20 1.00
AURKA O14965 12/20 1.00
GRK2 P25098 11/20 0.84

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
SCHEMBL12901291 0.91 CCNE1 (1.00) CCNE1CDK3CDK2CDK1CCNB1
SCHEMBL1273924 0.91 CCNE1 (1.00) CCNE1CDK3CDK2CDK1CCNB1
SCHEMBL12901192 0.91 CCNE1 (1.00) CCNE1CDK3CDK2CDK1CCNB1
SCHEMBL1274544 0.89 CCNE1 (1.00) CCNE1CDK3CDK2CDK1CCNB1
SCHEMBL12901160 0.88 CCNE1 (0.80) CCNE1CDK3CDK2CDK1CCNB1
SCHEMBL12935053 0.88 CCNE1 (0.79) CCNE1CDK3CDK2CDK1CCNB1
SCHEMBL12901196 0.87 CCNE1 (1.00) CCNE1CDK3CDK2CDK1CCNB1
SCHEMBL1274189 0.87 CCNE1 (1.00) CCNE1CDK3CDK2CDK1CCNB1
SCHEMBL12901163 0.87 CCNE1 (0.85) CCNE1CDK3CDK2CDK1CCNB1
SCHEMBL12901181 0.86 CCNE1 (0.86) CCNE1CDK3CDK2CDK1CCNB1

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 3 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-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
EP-2045253-A1 a-AMINO ACID DERIVATIVE AND PHARMACEUTICAL COMPRISING THE SAME AS ACTIVE INGREDIENT Nissan Chemical Industries, Ltd. (JP) 2009-04-08 EP 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 12/4885CDK3 23/4885CDK2 15/4885

“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.