SCHEMBL4601039

SCHEMBL4601039

COc1cccc(Nc2ncc(Br)s2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
RAB9A P51151 5/20 0.54
MAPT P10636 4/20 0.54
NPC1 O15118 4/20 0.54
GAA P10253 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
PKM P14618 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 0.53
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 2/20 0.48
CYP1A1 P04798 1/20 0.48

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
SCHEMBL3597606 0.82 RAB9A (0.50) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL6286205 0.82 RAB9A (0.62) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL4601487 0.81 RAB9A (0.62) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL6336629 0.81 KDR (0.69) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL15689102 0.78 MEN1 (0.51) MEN1KMT2AMAPTNPC1GAA
SCHEMBL4600760 0.78 KDR (0.49) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL4601253 0.77 CFTR (0.48) RAB9ANPC1SMN1; SMN2MAPK13MAPK12
SCHEMBL4601132 0.76 KDR (0.62) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL14056912 0.75 RET (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL5633679 0.75 MAPK13 (0.87) MEN1KMT2ARAB9AMAPTNPC1

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 MEN1 1575/4885KMT2A 640/4885RAB9A 4092/4885

“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.