SCHEMBL5038445

SCHEMBL5038445

Cc1cc(C)cc(Nc2nccc(-c3nc4ccccc4s3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.67
SYK P43405 11/20 0.67
SRC P12931 10/20 0.67
CDK2 P24941 5/20 0.67
AURKA O14965 4/20 0.55
AURKB Q96GD4 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 1/20 0.51
FLT4 P35916 3/20 0.50
INSR P06213 2/20 0.50
KDR P35968 2/20 0.50
EGFR P00533 1/20 0.50
IGF1R P08069 1/20 0.50
CDK4 P11802 1/20 0.49
GSK3B P49841 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL14379008 0.85 AURKA (0.60) SYKSRCCDK2AURKAAURKB
SCHEMBL6978008 0.82 CDK2 (0.60) ZAP70CDK2AURKAAURKBINSR
SCHEMBL14216016 0.81 ZAP70 (0.72) ZAP70SYKSRCCDK2AURKA
SCHEMBL14216122 0.81 ZAP70 (1.00) ZAP70SYKSRCCDK2AURKA
SCHEMBL14216149 0.78 SYK (0.68) ZAP70SYKSRCCDK2CDK4
SCHEMBL14216117 0.78 SYK (0.69) ZAP70SYKSRCCDK2AURKA
SCHEMBL13924509 0.76 SYK (1.00) ZAP70SYKSRCCDK2
SCHEMBL14216203 0.76 SYK (0.77) ZAP70SYKSRCCDK2AURKA
SCHEMBL14216198 0.76 ZAP70 (0.77) ZAP70SYKSRCCDK2AURKA
SCHEMBL14216024 0.76 ZAP70 (0.77) ZAP70SYKSRCCDK2KDR

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 8 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
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 ZAP70 82/4885SYK 463/4885SRC 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.