SCHEMBL5676709

SCHEMBL5676709

Cc1sc(N)c(C(=O)c2ccc3ccccc3c2)c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
LMNA P02545 3/20 0.68
MAPT P10636 2/20 0.68
ADORA1 P30542 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GAA P10253 1/20 0.56
GRM6 O15303 1/20 0.48
HPGD P15428 2/20 0.46
GMNN O75496 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
CNR1 P21554 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
CNR2 P34972 1/20 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
SCHEMBL1638729 0.81 ALDH1A1 (1.00) ALDH1A1LMNAMAPTADORA1CYP1A2
SCHEMBL13886683 0.79 ALDH1A1 (0.71) ALDH1A1LMNAMAPTADORA1CYP1A2
SCHEMBL30893851 0.78 ALDH1A1 (0.66) ALDH1A1LMNAMAPTADORA1CYP1A2
SCHEMBL21847272 0.78 ALDH1A1 (0.66) ALDH1A1LMNAMAPTADORA1CYP1A2
SCHEMBL135598 0.78 ALDH1A1 (0.75) ALDH1A1LMNAMAPTADORA1CYP1A2
SCHEMBL7490234 0.77 MAPT (0.69) ALDH1A1LMNAMAPTADORA1CYP1A2
SCHEMBL7490544 0.77 FLT3 (0.61) ALDH1A1LMNAMAPTADORA1CYP1A2
SCHEMBL3777726 0.77 ALDH1A1 (0.68) ALDH1A1LMNAMAPTADORA1CYP1A2
SCHEMBL30893849 0.77 ALDH1A1 (0.68) ALDH1A1LMNAMAPTADORA1CYP1A2
SCHEMBL5678918 0.76 MAPT (0.58) ALDH1A1LMNAMAPTADORA1CYP1A2

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 15 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

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 ALDH1A1 424/4885LMNA 2629/4885MAPT 4840/4885
US-20040077630-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ALDH1A1 291/4885LMNA 2403/4885MAPT 4793/4885
US-20010047008-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ALDH1A1 291/4885LMNA 2403/4885MAPT 4793/4885
US-20020143004-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ALDH1A1 328/4885LMNA 2682/4885MAPT 4839/4885
US-20020147185-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ALDH1A1 328/4885LMNA 2682/4885MAPT 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.