SCHEMBL5022700

SCHEMBL5022700

FC(F)(F)c1cccc(Nc2nc(-c3cnc4ccccn34)cs2)c1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 13/20 0.79
VCP P55072 1/20 0.55
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
NR2F2 P24468 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.49
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
KLF5 Q13887 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
SCHEMBL12158213 0.90 PKM (0.79) PKMVCPMAPTKDM4ENPSR1
SCHEMBL5025366 0.89 PKM (1.00) PKMMAPTKDM4ENPSR1ALDH1A1
SCHEMBL5016523 0.85 PKM (0.79) PKMMAPTKDM4EMAPK1NPSR1
SCHEMBL12881761 0.85 PKM (1.00) PKMMAPTKDM4EMAPK1NPSR1
SCHEMBL5023526 0.84 PKM (0.57) PKMVCPMAPTKDM4EMAPK1
SCHEMBL5022325 0.84 PKM (0.77) PKMMAPTKDM4ENPSR1ALDH1A1
SCHEMBL5025422 0.84 PKM (0.77) PKMMAPTKDM4ENPSR1ALDH1A1
SCHEMBL12174438 0.84 PKM (0.73) PKMVCPMAPTKDM4ENPSR1
SCHEMBL12158217 0.83 PKM (0.72) PKMVCPMAPTKDM4ENPSR1
SCHEMBL12158214 0.82 PKM (0.77) PKMMAPTKDM4ENPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261607-B1 2,4-DISUBSTITUTED THIAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2008-11-12 EP claimed
EP-1926719-B1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP disclosed
US-9388175-B2 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-07-12 US disclosed
US-9388175-B2 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-07-12 US disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 US disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 US 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-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 PKM 4217/4885VCP 4143/4885MAPT 3954/4885

“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.