SCHEMBL4601020

SCHEMBL4601020

FC(F)(F)c1cccc(Nc2ncc(Br)s2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
IDH2 P48735 2/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
AURKA O14965 1/20 0.47
THRB P10828 1/20 0.47
VCP P55072 1/20 0.46
SYK P43405 1/20 0.46
KDM4E B2RXH2 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL14066799 0.85 PIK3CG (0.48) HDAC3HDAC1HDAC2HDAC6KDR
SCHEMBL4601021 0.82 KDR (0.46) KMT2ASYKKDR
SCHEMBL4600760 0.81 KDR (0.49) MEN1KMT2AKDR
SCHEMBL6332844 0.81 KDR (0.68) KIF11IDH2KDR
SCHEMBL15689102 0.78 MEN1 (0.51) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL4601487 0.78 RAB9A (0.62) HDAC6MEN1ALDH1A1KMT2AAURKA
SCHEMBL12590910 0.78 IDH2 (0.46) KIF11IDH2THRBSYKKDM4E
SCHEMBL5634358 0.76 MAPK13 (0.56) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL4601132 0.76 KDR (0.62) MEN1ALDH1A1KMT2AKDM4EKDR
SCHEMBL5635378 0.75 MAPK13 (0.70) MEN1ALDH1A1KMT2AKDM4E

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 KIF11 958/4885HDAC3 2021/4885HDAC1 797/4885

“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.