SCHEMBL5782986

SCHEMBL5782986

CN1CCN(S(=O)(=O)c2ccc(NC(=O)Nc3ncc(C4CCC4)s3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 3/20 0.60
▸ CDK2 P24941 3/20 0.60
▸ CDK5 Q00535 3/20 0.60
▸ MEN1 O00255 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ USP2 O75604 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NAMPT P43490 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ RECQL P46063 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ PDE7A Q13946 1/20 0.47
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47

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
SCHEMBL6286080 0.77 CCNE1 (0.62) CCNE1CDK2CDK5MEN1MAPT
SCHEMBL5782078 0.76 CDK2 (1.00) CCNE1CDK2CDK5MEN1MAPT
SCHEMBL5782939 0.76 CCNE1 (0.72) CCNE1CDK2CDK5MEN1MAPT
SCHEMBL20522364 0.73 KMT2A (0.54) MEN1MAPTKMT2ATSHRSMN1; SMN2
SCHEMBL5783434 0.72 CCNE1 (0.57) CCNE1CDK2CDK5SMN1; SMN2PDE7A
SCHEMBL6286065 0.72 CCNE1 (0.70) CCNE1CDK2CDK5MEN1MAPT
SCHEMBL6286722 0.71 CCNE1 (0.68) CCNE1CDK2CDK5MEN1MAPT
SCHEMBL6282353 0.71 CCNE1 (0.68) CCNE1CDK2CDK5MEN1MAPT
SCHEMBL6281751 0.71 CDK2 (0.90) CCNE1CDK2CDK5MEN1MAPT
SCHEMBL6288092 0.71 CCNE1 (0.64) CCNE1CDK2CDK5MEN1MAPT

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.

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