SCHEMBL1203341

SCHEMBL1203341

CC(=O)Nc1ccc(C(=O)CBr)cn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.54
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
HCAR3 P49019 4/20 0.47
GRIN2B Q13224 1/20 0.47
GSK3B P49841 3/20 0.44
KMT2A Q03164 1/20 0.43
NNMT P40261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 1/20 0.42
PTPN1 P18031 1/20 0.42
DEGS1 O15121 1/20 0.41

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
SCHEMBL6923544 0.85 PTK2 (0.56) PTK2CYP1A2GAAHCAR3GRIN2B
SCHEMBL16463469 0.85 PTK2 (0.56) PTK2CYP1A2GAAHCAR3GRIN2B
SCHEMBL25702957 0.84 GSK3B (0.46) HCAR3GSK3BNNMTEPHX2PTPN1
SCHEMBL30320778 0.84 GSK3B (0.46) HCAR3GSK3BNNMTEPHX2PTPN1
SCHEMBL6576391 0.84 ALDH1A1 (0.58) PTK2CYP1A2GAAHCAR3GRIN2B
SCHEMBL31661260 0.84 HCAR3 (0.69) HCAR3GSK3BNNMTPTPN1
SCHEMBL16865853 0.83 HCAR3 (0.64) HCAR3GSK3BNNMTPTPN1
SCHEMBL31661280 0.83 HCAR3 (0.64) HCAR3GSK3BNNMTPTPN1
SCHEMBL9772954 0.83 ALDH1A1 (0.51) HCAR3GSK3BDEGS1
SCHEMBL16463731 0.83 PTK2 (0.53) PTK2CYP1A2GAAHCAR3GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893280-B2 2,4-disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 US disclosed
EP-1261607-B1 2,4-DISUBSTITUTED THIAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2008-11-12 EP disclosed
US-20060211704-A1 2,4-Disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 US disclosed
US-7105550-B2 2,4-disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-12 US disclosed
US-20030203897-A1 2,4-Disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-30 US disclosed
EP-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 EP disclosed
EP-0244728-A2 Use of heteroarylethyl amines to stimulate animal growth, heteroarylethyl amines and process for their preparation BAYER AG (DE) 1987-11-11 EP 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 (2 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-20060211704-A1 2,4-Disubstituted thiazolyl derivatives IL4, PTGER4, PTGER3 PTK2 1966/4885CYP1A2 147/4885GAA 4615/4885
US-20030203897-A1 2,4-Disubstituted thiazolyl derivatives IL4, PTGER4, PTGER1 PTK2 1598/4885CYP1A2 120/4885GAA 4375/4885

“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.