SCHEMBL6133532

SCHEMBL6133532

CCNc1nc(-c2ccccc2)c(-c2ccc(=O)n(C(C)C)n2)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.44
XIAP P98170 3/20 0.41
NR2F2 P24468 1/20 0.41
ADORA2A P29274 7/20 0.39
ADORA1 P30542 6/20 0.38
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
JUN P05412 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
SCHEMBL6133360 0.92 PTGS2 (0.42) PTGS2XIAPADORA2AADORA1ALDH1A1
SCHEMBL6133821 0.89 TGFBR1 (0.44) PTGS2XIAPADORA2AADORA1ALDH1A1
Bromide SCHEMBL6134027 0.89 PTGS2 (0.40) PTGS2XIAPADORA2AADORA1ALDH1A1
SCHEMBL6133383 0.88 ALDH1A1 (0.43) PTGS2XIAPALDH1A1MAPT
SCHEMBL6134205 0.88 XIAP (0.43) PTGS2XIAPADORA2AADORA1ALDH1A1
SCHEMBL6136106 0.87 MAPT (0.50) PTGS2XIAPADORA2AADORA1ALDH1A1
Bromide SCHEMBL6134102 0.87 XIAP (0.42) PTGS2XIAPADORA2AADORA1ALDH1A1
SCHEMBL6133401 0.87 XIAP (0.42) PTGS2XIAPADORA2AADORA1ALDH1A1
SCHEMBL6134187 0.86 XIAP (0.41) PTGS2XIAPADORA2AADORA1ALDH1A1
SCHEMBL6133608 0.86 MEN1 (0.48) XIAPADORA2AADORA1ALDH1A1TP53

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 PTGS2 1262/4885XIAP 4881/4885NR2F2 605/4885

“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.