SCHEMBL6133588

SCHEMBL6133588

COc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(-c3ccc(=O)n(C(C)C)n3)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.52
APP P05067 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
ADORA2A P29274 5/20 0.50
ADORA1 P30542 5/20 0.50
LMNA P02545 2/20 0.45
GLS O94925 1/20 0.45
CSNK1D P48730 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 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
SCHEMBL6133290 0.92 ADORA2A (0.58) RORCADORA2AADORA1CSNK1D
SCHEMBL6133220 0.87 ADORA1 (0.58) MEN1KMT2AALDH1A1MAPTADORA2A
SCHEMBL6133766 0.84 RAB9A (0.46) MEN1KMT2AALDH1A1MAPTADORA2A
SCHEMBL6133361 0.84 ADORA2A (0.48) RORCMEN1KMT2AALDH1A1MAPT
SCHEMBL6133306 0.84 ADORA1 (0.60) RORCMEN1KMT2AALDH1A1MAPT
SCHEMBL6134810 0.82 ADORA2A (0.47) RORCALDH1A1MAPTADORA2AADORA1
SCHEMBL6133428 0.82 ALDH1A1 (0.47) RORCKMT2AALDH1A1MAPTADORA2A
Hydrochloric Acid SCHEMBL6133657 0.82 ADORA2A (0.44) RORCALDH1A1MAPTADORA2AADORA1
Hydrochloric Acid SCHEMBL6829199 0.82 ADORA2A (0.44) RORCALDH1A1MAPTADORA2AADORA1
Hydrochloric Acid SCHEMBL6924932 0.82 ADORA2A (0.44) RORCALDH1A1MAPTADORA2AADORA1

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 RORC 435/4885APP 2614/4885MEN1 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.