SCHEMBL6133367

SCHEMBL6133367

CC(C)n1nc(-c2sc(NC(=O)c3cccc(Cl)c3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.50
ADORA2A P29274 5/20 0.50
MAPT P10636 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
ADORA3 P0DMS8 3/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
GRM5 P41594 1/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL6133303 0.91 ADORA2A (0.60) ADORA1ADORA2AMAPTMEN1KMT2A
SCHEMBL6133216 0.90 ADORA2A (0.51) ADORA1ADORA2AMAPTKMT2AALDH1A1
SCHEMBL6133349 0.90 ADORA2A (0.53) ADORA1ADORA2AMAPTMEN1KMT2A
SCHEMBL6133489 0.90 ADORA2A (0.50) ADORA1ADORA2AMAPTMEN1KMT2A
SCHEMBL6133287 0.88 ADORA1 (0.49) ADORA1ADORA2AMAPTKMT2AALDH1A1
SCHEMBL6134458 0.87 ADORA2A (0.48) ADORA1ADORA2AMAPTKMT2AALDH1A1
SCHEMBL6133764 0.86 ALDH1A1 (0.46) ADORA1ADORA2AMAPTMEN1KMT2A
SCHEMBL6134298 0.85 ADORA2A (0.53) ADORA1ADORA2AMAPTKMT2AALDH1A1
SCHEMBL6133159 0.85 ADORA2A (0.53) ADORA1ADORA2AMAPTMEN1KMT2A
SCHEMBL6133630 0.85 ALDH1A1 (0.46) ADORA1ADORA2AMAPTMEN1KMT2A

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 ADORA1 243/4885ADORA2A 635/4885MAPT 3008/4885

“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.