SCHEMBL6133825

SCHEMBL6133825

CC(C)n1nc(-c2sc(C(=O)NCc3ccccn3)nc2-c2ccccc2F)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.46
ADORA1 P30542 2/20 0.46
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
USP2 O75604 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCD O00767 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL6133345 0.89 SMN1; SMN2 (0.49) ADORA2AADORA1LMNAHTTSMN1; SMN2
SCHEMBL6134249 0.89 TSHR (0.46) ADORA2AADORA1LMNAHTTSMN1; SMN2
SCHEMBL6134645 0.87 ADORA2A (0.49) ADORA2AADORA1LMNAHTTSMN1; SMN2
SCHEMBL6134156 0.84 TSHR (0.42) ADORA2AHTTKDM4EALOX15HSD17B10
SCHEMBL6134702 0.84 ADORA2A (0.49) ADORA2AADORA1LMNAHTTSMN1; SMN2
SCHEMBL6133208 0.82 NAMPT (0.49) ADORA2AADORA1HTTSMN1; SMN2USP2
SCHEMBL6133519 0.81 CYP3A4 (0.43) ADORA2AADORA1LMNAHTTSMN1; SMN2
SCHEMBL6133755 0.81 CDC7 (0.37) SMN1; SMN2HSD17B10ALDH1A1NPSR1
SCHEMBL6133504 0.81 LCK (0.38) KDM4EMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL6133353 0.79 ALDH1A1 (0.47) LMNAHTTSMN1; SMN2KDM4EMEN1

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 ADORA2A 635/4885ADORA1 243/4885LMNA 4780/4885

“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.