SCHEMBL5780583

SCHEMBL5780583

O=C(Nc1ccc2nc[nH]c2c1)Nc1ncc(C2CCC2)s1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 14/20 0.68
CDK2 P24941 14/20 0.68
CDK5 Q00535 14/20 0.68
EPHX1 P07099 2/20 0.58
QPCT Q16769 1/20 0.51
CDK5R1 Q15078 1/20 0.46
NAMPT P43490 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5779226 0.84 CCNE1 (0.64) CCNE1CDK2CDK5EPHX1CDK5R1
SCHEMBL5779739 0.84 CCNE1 (0.67) CCNE1CDK2CDK5EPHX1CDK5R1
SCHEMBL5781889 0.82 CCNE1 (0.63) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL5780938 0.81 CCNE1 (0.66) CCNE1CDK2CDK5EPHX1CDK5R1
SCHEMBL5784478 0.81 CDK5 (0.66) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL5781736 0.79 CCNE1 (1.00) CCNE1CDK2CDK5CDK5R1NAMPT
SCHEMBL5780604 0.78 CCNE1 (0.62) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL5779173 0.78 CCNE1 (0.58) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL5779275 0.78 CCNE1 (0.73) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL5783324 0.77 CCNE1 (0.63) CCNE1CDK2CDK5CDK5R1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256578-B1 Thiazole derivatives and their use as cdk inhibitors PFIZER PROD INC (US) 2006-01-11 EP claimed
US-6720427-B2 USED TO TREAT ABNORMAL CELL GROWTH AND CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2004-04-13 US claimed
US-20030078252-A1 Thiazole derivatives PFIZER INC. 2003-04-24 US claimed
EP-1256578-A1 Thiazole derivatives and their use as cdk inhibitors Pfizer Products Inc. (US) 2002-11-13 EP claimed
EP-1256578-B1 Thiazole derivatives and their use as cdk inhibitors PFIZER PROD INC (US) 2006-01-11 EP disclosed
US-20040192746-A1 Thiazole derivatives PFIZER INC 2004-09-30 US disclosed
US-6720427-B2 USED TO TREAT ABNORMAL CELL GROWTH AND CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2004-04-13 US disclosed
US-20030078252-A1 Thiazole derivatives PFIZER INC. 2003-04-24 US disclosed
EP-1256578-A1 Thiazole derivatives and their use as cdk inhibitors Pfizer Products Inc. (US) 2002-11-13 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 (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-20030078252-A1 Thiazole derivatives CDK1, CDKL1, CDK5 CCNE1 112/4885CDK2 10/4885CDK5 3/4885
US-20040192746-A1 Thiazole derivatives CDK1, CDKL1, CDK5 CCNE1 112/4885CDK2 10/4885CDK5 3/4885

“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.