SCHEMBL4601463

SCHEMBL4601463

O=C(NCCO)c1ccc(Nc2ncc(Br)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
MMP13 P45452 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NEK1 Q96PY6 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL4601137 0.86 FPR2 (0.49) FPR2ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4599626 0.85 ALDH1A1 (0.49) FPR3FPR2HDAC6HDAC1GAA
SCHEMBL4600687 0.83 ALDH1A1 (0.55) HDAC6HDAC1GAAALDH1A1POLB
SCHEMBL4600038 0.83 ALDH1A1 (0.52) FPR3FPR2HDAC6KDM4EALDH1A1
SCHEMBL14066779 0.81 RAB9A (0.46) HDAC6HDAC1MAPK13MAPK12MAPK11
SCHEMBL4614085 0.80 CD274 (0.56) HDAC6HDAC1ALDH1A1HPGD
SCHEMBL4601382 0.79 GAA (0.49) GAACCNE1CDK2CDK5MAPK13
SCHEMBL4601938 0.79 ALDH1A1 (0.39) FPR3FPR2HDAC6HDAC1KDM4E
SCHEMBL4601715 0.78 SMN1; SMN2 (0.55) KDM4EALDH1A1CCNE1CDK2CDK5
SCHEMBL4600739 0.76 MEN1 (0.54) HDAC1KDM4ECCNE1CDK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101273023-A 5-substituted thiazol-2-ylamino compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-09-24 CN claimed
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
CN-101273023-A 5-substituted thiazol-2-ylamino compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-09-24 CN 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
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 FPR3 3263/4885FPR2 3152/4885HDAC6 1284/4885

“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.