SCHEMBL5034236

SCHEMBL5034236

CC(=O)c1ncc(N(C)C)s1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42
ALDH1A1 P00352 4/20 0.41
FFAR2 O15552 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HCAR2 Q8TDS4 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
PIK3CG P48736 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL1357514 0.73 ALDH1A1 (0.46) CCNE1CDK2CDK5ALDH1A1KDM4E
SCHEMBL1808824 0.71
SCHEMBL933967 0.71
SCHEMBL14402806 0.71 MLYCD (0.38) ALDH1A1SMN1; SMN2HPGD
SCHEMBL17900057 0.70
SCHEMBL5034219 0.70
SCHEMBL600887 0.68 HCAR2 (0.61) CCNE1CDK2CDK5ALDH1A1FFAR2
SCHEMBL31251999 0.67 KDM4E (0.35) CCNE1CDK2CDK5ALDH1A1KDM4E
SCHEMBL6348870 0.67
SCHEMBL24166406 0.67 CCNE1 (0.36) CCNE1CDK2CDK5ALDH1A1FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605946-B1 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2008-05-28 EP disclosed
US-7276502-B2 Thiazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-02 US disclosed
EP-1605946-A2 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-12-21 EP disclosed
US-20050004150-A1 For therapy and prophylaxis of immunodeficiency disorders, inflammatory diseases, allergic diseases, autoimmune diseases, proliferative disorders, immunologically-mediated diseases, or respiratory disorders VERTEX PHARMACEUTICALS INCORPORATED 2005-01-06 US disclosed
WO-2004087699-A2 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-14 WO 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-20050004150-A1 For therapy and prophylaxis of immunodeficiency disorders, inflammatory diseases, allergic diseases, autoimmune diseases, proliferative disorders, immunologically-mediated diseases, or respiratory disorders TSLP, JAK1, SERPINB1 CCNE1 1537/4885CDK2 47/4885CDK5 148/4885

“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.