SCHEMBL5780402

SCHEMBL5780402

O=C(Cc1ccc(Cl)cc1Cl)Nc1ncc(C2CC(C(=O)O)C2)s1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.49
CDK2 P24941 5/20 0.49
CDK5 Q00535 5/20 0.49
CDK5R1 Q15078 1/20 0.49
P2RX7 Q99572 7/20 0.48
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
RECQL P46063 1/20 0.44
ABL1 P00519 1/20 0.43
GRM4 Q14833 1/20 0.43

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
Bicarbonate SCHEMBL5781079 0.88 CCNE1 (0.62) CCNE1CDK2CDK5CDK5R1P2RX7
SCHEMBL5779224 0.87 CCNE1 (0.61) CCNE1CDK2CDK5CDK5R1P2RX7
SCHEMBL5785173 0.84 RECQL (0.42) CCNE1CDK2CDK5CDK5R1P2RX7
SCHEMBL5835954 0.74 CCNE1 (0.60) CCNE1CDK2CDK5CDK5R1P2RX7
SCHEMBL5782472 0.68 CCNE1 (0.60) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL3386340 0.67 CCNE1 (0.59) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL5780891 0.66 CCNE1 (1.00) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL25273658 0.66 MKNK1 (0.60) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL10559385 0.66 KCNJ5 (0.67) GALR3NR2F2RECQL
SCHEMBL14661263 0.65 P2RX7 (1.00) P2RX7

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.