SCHEMBL5676512

SCHEMBL5676512

COc1cc(CN2CCc3c(sc(N)c3C(=O)c3ccc4ccccc4c3)C2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
USP2 O75604 1/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PSMD14 O00487 1/20 0.46
RAD52 P43351 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MCHR1 Q99705 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL5678867 0.87 ADORA1 (0.71) ADORA1KMT2AMEN1MAPTLMNA
SCHEMBL5675440 0.84 ADORA1 (0.61) ADORA1KMT2AMEN1MAPTLMNA
SCHEMBL6673323 0.84 ADORA1 (0.60) ADORA1KMT2AMEN1MAPTLMNA
SCHEMBL7001600 0.83 ADORA1 (0.67) ADORA1KMT2AMEN1MAPTLMNA
SCHEMBL5680009 0.80 ADORA1 (0.55) ADORA1KMT2AMEN1MAPTLMNA
SCHEMBL5675327 0.80 ADORA1 (0.53) ADORA1KMT2AMEN1MAPTLMNA
SCHEMBL6993348 0.80 ADORA1 (0.71) ADORA1KMT2AMEN1MAPTLMNA
SCHEMBL7686202 0.78 ADORA1 (0.61) ADORA1KMT2AMEN1MAPTLMNA
SCHEMBL7683564 0.78 ADORA1 (0.65) ADORA1KMT2AMEN1MAPTLMNA
SCHEMBL6683013 0.76 ADORA1 (0.42) ADORA1KMT2AMEN1MAPTLMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401441-A4 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-09-06 EP claimed
US-6727258-B2 E.G., KETONE DERIVATIVES OF THIENOTHIOPYRANS, BENZOTHIOPHENES, THIENOPYRIDINES, CYCLOPENTATHIOPHENES, THIOPHENYLNAPHTHALENES, THIOPHENYLBENZOFURANS, ETC. KING PHARMACEUTICAL RESEARCH & DEVELOPMENT, INC. 2004-04-27 US claimed
EP-1401441-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2004-03-31 EP claimed
WO-2002074056-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT INC. (US) 2002-09-26 WO claimed
US-7112607-B2 Allosteric adenosine receptor modulators KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-09-26 US disclosed
EP-1401441-A4 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-09-06 EP disclosed
US-6727258-B2 E.G., KETONE DERIVATIVES OF THIENOTHIOPYRANS, BENZOTHIOPHENES, THIENOPYRIDINES, CYCLOPENTATHIOPHENES, THIOPHENYLNAPHTHALENES, THIOPHENYLBENZOFURANS, ETC. KING PHARMACEUTICAL RESEARCH & DEVELOPMENT, INC. 2004-04-27 US disclosed
US-20040077630-A1 Allosteric adenosine receptor modulators BARALDI PIER GIOVANNI (IT) 2004-04-22 US disclosed
EP-1401441-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2004-03-31 EP disclosed
US-20020147231-A1 Allosteric adenosine receptor modulators KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. 2002-10-10 US disclosed
US-20020147185-A1 Allosteric adenosine receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-10-10 US disclosed
US-20020143004-A1 Allosteric adenosine receptor modulators KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. 2002-10-03 US disclosed
WO-2002074056-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT INC. (US) 2002-09-26 WO disclosed
US-20010047008-A1 Allosteric adenosine receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2001-11-29 US 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 (5 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-20020147231-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ADORA1 2/4885KMT2A 2472/4885MEN1 4872/4885
US-20040077630-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ADORA1 2/4885KMT2A 2855/4885MEN1 4844/4885
US-20010047008-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ADORA1 2/4885KMT2A 2855/4885MEN1 4844/4885
US-20020143004-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ADORA1 2/4885KMT2A 2276/4885MEN1 4866/4885
US-20020147185-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ADORA1 2/4885KMT2A 2276/4885MEN1 4866/4885

“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.