SCHEMBL3896458

SCHEMBL3896458

CC(F)(F)c1nc(-c2cccc(Cl)c2)c(-c2ccnc(N)c2)s1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.50
TGFBR1 P36897 1/20 0.44
ROCK1 Q13464 1/20 0.44
BRAF P15056 2/20 0.38
MAP4K4 O95819 1/20 0.38
CNR2 P34972 3/20 0.37
RORB Q92753 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
CNR1 P21554 2/20 0.36
ADORA2B P29275 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL3896144 0.88 MAPK14 (0.65) MAPK14MAP4K4
SCHEMBL3890143 0.82 MAPK14 (0.58) MAPK14TGFBR1ROCK1MAP4K4RORB
SCHEMBL3890883 0.80 MAPK14 (0.77) MAPK14MAP4K4
SCHEMBL3901645 0.78 MAPK14 (0.59) MAPK14MAP4K4
SCHEMBL3899165 0.78 MAPK14 (0.64) MAPK14TGFBR1ROCK1
SCHEMBL3901366 0.77 MAPK14 (0.60) MAPK14TGFBR1ROCK1MAP4K4CDC7
SCHEMBL3887612 0.75 MAPK14 (0.47) MAPK14TGFBR1ROCK1MAP4K4CDC7
SCHEMBL3890930 0.75 MAPK14 (0.58) MAPK14TGFBR1ROCK1
SCHEMBL3889480 0.74 MAPK14 (0.56) MAPK14TGFBR1MAP4K4RORBCDC7
SCHEMBL3888103 0.70 MAPK14 (0.76) MAPK14MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 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-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 MAPK14 31/4885TGFBR1 818/4885ROCK1 576/4885

“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.