SCHEMBL3900914

SCHEMBL3900914

Nc1ncccc1-c1cncs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
CHEK2 O96017 1/20 0.43
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
MAP4K4 O95819 1/20 0.42
DYRK1A Q13627 3/20 0.41
IMPDH2 P12268 1/20 0.41
DYRK1B Q9Y463 2/20 0.41
DYRK2 Q92630 1/20 0.41
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
RPS6KA5 O75582 1/20 0.37
CD38 P28907 2/20 0.36
PIM1 P11309 2/20 0.36
AKT1 P31749 2/20 0.36
IDO1 P14902 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
SCHEMBL8487289 0.79 NPC1 (0.43) DYRK1AIMPDH2DYRK1BDYRK2LRRK2
SCHEMBL10062975 0.78 MAP4K4 (0.59) MKNK1MKNK2MAP4K4NOS3NOS1
SCHEMBL30968134 0.76 MAP4K4 (0.57) MKNK1MKNK2MAP4K4NOS3NOS1
SCHEMBL30761163 0.76 CHEK1 (0.45) CHEK1CHEK2MKNK1MKNK2DYRK1A
SCHEMBL30761165 0.76 CHEK1 (0.45) CHEK1CHEK2MKNK1MKNK2DYRK1A
SCHEMBL27288986 0.76 ALDH1A1 (0.46) CHEK1CHEK2DYRK1AIMPDH2DYRK1B
SCHEMBL27401952 0.74 NPC1 (0.47) CHEK1CHEK2MKNK1MKNK2MAP4K4
SCHEMBL27552668 0.73 IMPDH2 (0.42) CHEK1CHEK2DYRK1AIMPDH2DYRK1B
SCHEMBL26259995 0.72 TBXAS1 (0.44) DYRK1AIMPDH2DYRK1BDYRK2CD38
SCHEMBL28019355 0.72 CYP2A6 (0.41) DYRK1ADYRK1BDYRK2LRRK2CD38

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 CHEK1 282/4885CHEK2 177/4885MKNK1 52/4885

“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.