SCHEMBL6133423

SCHEMBL6133423

CC(C)n1nc(-c2sc(C(=O)NCc3ccncc3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CDC7 O00311 2/20 0.40
CDK2 P24941 2/20 0.40
CCNE1 P24864 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.39
TRPA1 O75762 1/20 0.39
MAP4K4 O95819 2/20 0.39
PRKACA P17612 2/20 0.39
GSK3B P49841 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
PIM1 P11309 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
SCD O00767 1/20 0.39
NAMPT P43490 2/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL6133161 0.94 L3MBTL1 (0.47) L3MBTL1ALDH1A1SCDROCK2SMN1; SMN2
SCHEMBL6133196 0.91 L3MBTL1 (0.40) L3MBTL1ALDH1A1CYP3A4NAMPTROCK2
SCHEMBL6133144 0.90 RAB9A (0.48) L3MBTL1ALDH1A1TRPA1SCDNAMPT
SCHEMBL6134249 0.87 TSHR (0.46) L3MBTL1ALDH1A1CYP3A4NAMPTMAPK1
SCHEMBL6133811 0.87 NPC1 (0.40) ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6134990 0.85 MAPT (0.42) ALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL6134311 0.85 HPGD (0.41) ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6133465 0.84 HSD17B10 (0.39) ALDH1A1HSD17B10
SCHEMBL6134295 0.84 TP53 (0.37) ALDH1A1HSD17B10
SCHEMBL6134642 0.83 TP53 (0.41) ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR MMP13 4240/4885L3MBTL1 3609/4885CDC7 4662/4885

“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.