SCHEMBL5675393

SCHEMBL5675393

Cc1sc(N)c(C(=O)c2cccs2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 1.00
ALDH1A1 P00352 8/20 0.62
MAPT P10636 4/20 0.62
LMNA P02545 4/20 0.62
HSD17B10 Q99714 4/20 0.56
ALOX15 P16050 2/20 0.56
PSMD14 O00487 1/20 0.56
MMP2 P08253 1/20 0.56
GAA P10253 2/20 0.55
HPGD P15428 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
RAB9A P51151 2/20 0.53
MAPK10 P53779 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTT P42858 1/20 0.49
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL5676637 0.78 ADORA1 (0.64) ADORA1ALDH1A1MAPTLMNAHSD17B10
SCHEMBL1638729 0.77 ALDH1A1 (1.00) ADORA1ALDH1A1MAPTLMNAHSD17B10
SCHEMBL5676744 0.75 ADORA1 (0.60) ADORA1ALDH1A1MAPTLMNAHSD17B10
SCHEMBL135598 0.73 ALDH1A1 (0.75) ADORA1ALDH1A1MAPTLMNAHSD17B10
SCHEMBL4741438 0.73 ALDH1A1 (0.73) ADORA1ALDH1A1MAPTLMNAHSD17B10
SCHEMBL5675411 0.73 ALDH1A1 (0.64) ADORA1ALDH1A1MAPTLMNAHSD17B10
SCHEMBL11913211 0.73 ADORA1 (0.57) ADORA1ALDH1A1MAPTLMNAHSD17B10
SCHEMBL13886683 0.72 ALDH1A1 (0.71) ADORA1ALDH1A1MAPTLMNAHSD17B10
SCHEMBL8289781 0.72 MAPT (1.00) ADORA1ALDH1A1MAPTLMNAHSD17B10
SCHEMBL881267 0.71 ALDH1A1 (0.71) ADORA1ALDH1A1MAPTLMNAHSD17B10

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 16 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-20040077630-A1 Allosteric adenosine receptor modulators BARALDI PIER GIOVANNI (IT) 2004-04-22 US claimed
EP-1401441-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2004-03-31 EP claimed
US-20020147231-A1 Allosteric adenosine receptor modulators KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. 2002-10-10 US claimed
WO-2002074056-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT INC. (US) 2002-09-26 WO claimed
US-20010047008-A1 Allosteric adenosine receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2001-11-29 US 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 2/4885ALDH1A1 424/4885MAPT 4840/4885
US-20040077630-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ADORA1 2/4885ALDH1A1 291/4885MAPT 4793/4885
US-20010047008-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ADORA1 2/4885ALDH1A1 291/4885MAPT 4793/4885
US-20020143004-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ADORA1 2/4885ALDH1A1 328/4885MAPT 4839/4885
US-20020147185-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ADORA1 2/4885ALDH1A1 328/4885MAPT 4839/4885

“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.