SCHEMBL5036699

SCHEMBL5036699

Cc1cc(C)cc(Nc2nccc(-c3ncc(N4CCCCC4)s3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.66
ZAP70 P43403 14/20 0.66
SRC P12931 11/20 0.66
CDK2 P24941 6/20 0.66
CDK4 P11802 2/20 0.47
GSK3B P49841 1/20 0.47
FLT3 P36888 3/20 0.46
JAK2 O60674 1/20 0.42
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
CCND1 P24385 1/20 0.42
CCND3 P30281 1/20 0.42
CDK6 Q00534 1/20 0.42

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
SCHEMBL5567568 0.89 CDK2 (0.64) SYKZAP70SRCCDK2CDK4
SCHEMBL14216005 0.82 SYK (0.69) SYKZAP70SRCCDK2CDK4
SCHEMBL14216122 0.80 ZAP70 (1.00) SYKZAP70SRCCDK2CDK4
SCHEMBL14216172 0.79 SYK (0.58) SYKZAP70SRCCDK2CDK4
SCHEMBL14216203 0.78 SYK (0.77) SYKZAP70SRCCDK2CDK4
SCHEMBL14216198 0.78 ZAP70 (0.77) SYKZAP70SRCCDK2CDK4
SCHEMBL14216024 0.78 ZAP70 (0.77) SYKZAP70SRCCDK2CDK4
SCHEMBL14215971 0.77 SYK (0.67) SYKZAP70SRCCDK2CDK4
SCHEMBL14378973 0.77 SYK (0.53) SYKZAP70SRCCDK2FLT3
SCHEMBL5043703 0.76 SYK (0.73) SYKZAP70SRCCDK2CDK4

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 6 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
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
US-7276502-B2 Thiazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-02 US disclosed
US-7276502-B2 Thiazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-02 US 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

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 SYK 463/4885ZAP70 82/4885SRC 580/4885

“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.