SCHEMBL6133654

SCHEMBL6133654

CC(=O)Nc1nc(-c2ccccc2)c(-c2ccc(=O)n(C(C)C)n2)s1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ADORA2A P29274 8/20 0.53
ADORA1 P30542 6/20 0.53
XIAP P98170 6/20 0.50
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL6135469 0.91 XIAP (0.55) ALDH1A1MAPTMEN1KMT2AADORA2A
SCHEMBL6133441 0.90 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AADORA2A
SCHEMBL6133303 0.90 ADORA2A (0.60) ALDH1A1MAPTMEN1KMT2AADORA2A
SCHEMBL6133228 0.90 XIAP (0.48) ALDH1A1MAPTMEN1KMT2AADORA2A
SCHEMBL6133869 0.89 CFTR (0.48) ALDH1A1MAPTMEN1KMT2AADORA2A
SCHEMBL6133625 0.88 ADORA2A (0.56) ALDH1A1MAPTADORA2AADORA1XIAP
SCHEMBL6133306 0.88 ADORA1 (0.60) ALDH1A1MAPTMEN1KMT2AADORA2A
SCHEMBL6133361 0.88 ADORA2A (0.48) ALDH1A1MAPTMEN1KMT2AADORA2A
SCHEMBL6133685 0.88 XIAP (0.48) ALDH1A1MAPTMEN1KMT2AADORA2A
SCHEMBL6133630 0.87 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AADORA2A

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 ALDH1A1 630/4885MAPT 3008/4885MEN1 2508/4885

“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.