SCHEMBL4600345

SCHEMBL4600345

Brc1cnc(Nc2ccc(Oc3ccccc3)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.51
PTGS2 P35354 1/20 0.44
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
SCN9A Q15858 2/20 0.43
SCN5A Q14524 1/20 0.43
ERBB2 P04626 1/20 0.43
TEK Q02763 1/20 0.43
PDE10A Q9Y233 1/20 0.43
MAPK13 O15264 3/20 0.43
MAPK12 P53778 3/20 0.43
MAPK11 Q15759 3/20 0.43
MAPK14 Q16539 3/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.41
RAF1 P04049 1/20 0.41
MAP2K1 Q02750 1/20 0.41
RIPK2 O43353 1/20 0.40

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
SCHEMBL4601246 0.87 KDR (0.47) KDRTTBK1TTBK2SCN9APDE10A
SCHEMBL4601132 0.85 KDR (0.62) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL3597606 0.81 RAB9A (0.50) KDRPTGS2MAPK13MAPK12MAPK11
SCHEMBL6336620 0.81 KDR (0.74) KDR
SCHEMBL4601257 0.79 KDR (0.53) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL14066778 0.78 FBP1 (0.46) KDRTTBK1TTBK2SCN9ASCN5A
SCHEMBL14066777 0.76 KDR (0.50) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL4601915 0.76 KDR (0.50) KDRSCN9AMAPK13MAPK12MAPK11
SCHEMBL4600388 0.76 KDR (0.50) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL4613372 0.76 KDR (0.50) KDRMAPK13MAPK12MAPK11MAPK14

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
US-20080227783-A1 5-Substituted Thiazol-2-Yl Amino Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-18 US claimed
EP-1912959-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-23 EP claimed
WO-2007016228-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-08 WO claimed
US-20080227783-A1 5-Substituted Thiazol-2-Yl Amino Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-18 US disclosed
US-20080227783-A1 5-Substituted Thiazol-2-Yl Amino Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-18 US disclosed
US-20080227783-A1 5-Substituted Thiazol-2-Yl Amino Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-18 US disclosed
EP-1912959-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-23 EP disclosed
WO-2007016228-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-08 WO disclosed
WO-2007016228-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-08 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-20080227783-A1 5-Substituted Thiazol-2-Yl Amino Compounds and Compositions as Protein Kinase Inhibitors BMX, CDK1, CKS1B KDR 1104/4885PTGS2 4251/4885TTBK1 91/4885

“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.