SCHEMBL197210

SCHEMBL197210

O=C(Nc1cc(Nc2ccccc2)nc2ccccc12)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.58
MAPK10 P53779 1/20 0.58
MAPT P10636 7/20 0.56
KMT2A Q03164 5/20 0.56
RAB9A P51151 4/20 0.56
TP53 P04637 3/20 0.56
MEN1 O00255 3/20 0.56
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GFER P55789 1/20 0.56
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ADORA3 P0DMS8 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA2B P29275 1/20 0.55
ADORA1 P30542 1/20 0.55
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KDM4E B2RXH2 2/20 0.51

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
SCHEMBL196069 0.88 RAB9A (0.59) MAPK8MAPK10MAPTKMT2ARAB9A
SCHEMBL196747 0.83 RAB9A (0.48) MAPK8MAPK10MAPTKMT2ARAB9A
SCHEMBL936997 0.82 ADORA3 (0.52) MAPTKMT2ARAB9ATP53MEN1
SCHEMBL1844806 0.81 MAPT (0.58) MAPTKMT2ARAB9ATP53MEN1
SCHEMBL196744 0.73 MAPT (0.58) MAPK8MAPK10MAPTKMT2ARAB9A
SCHEMBL196512 0.73 MAPT (0.55) MAPK8MAPK10MAPTKMT2ARAB9A
SCHEMBL1518754 0.73 MAPK8 (1.00) MAPK8MAPK10MAPTKMT2ARAB9A
SCHEMBL2997673 0.73 RAB9A (1.00) MAPTKMT2ARAB9ATP53MEN1
SCHEMBL196063 0.72 RXFP1 (0.60) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL22861757 0.71 ADORA3 (1.00) MAPTKMT2ARAB9ATP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323661-B1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIV LEIDEN (NL) 2013-04-17 EP claimed
JP-2012500255-A 2012-01-05 JP claimed
CN-102123709-A A3Adenosine receptor allosteric modulators UNIV LEIDEN 2011-07-13 CN claimed
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 US claimed
EP-2323661-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS Universiteit Leiden (NL) 2011-05-25 EP claimed
WO-2010020981-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2010-02-25 WO claimed
US-9668959-B2 A3 adenosine receptor ligands for modulation of pigmentation ORADIN PHARMACEUTICAL LTD. (IL) 2017-06-06 US disclosed
EP-2456419-B1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD (IL) 2016-11-23 EP disclosed
US-20160136079-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD. (IL) 2016-05-19 US disclosed
US-9199102-B2 A3 adenosine receptor ligands for modulation of pigmentation ORADIN PHARMACEUTICAL LTD. (IL) 2015-12-01 US disclosed
EP-2323661-B1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIV LEIDEN (NL) 2013-04-17 EP disclosed
US-20120134945-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD. (IL) 2012-05-31 US disclosed
EP-2456419-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION Oradin Pharmaceutical Ltd. (IL) 2012-05-30 EP disclosed
CN-102123709-A A3Adenosine receptor allosteric modulators UNIV LEIDEN 2011-07-13 CN disclosed
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 US disclosed
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 US disclosed
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 US disclosed
EP-2323661-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS Universiteit Leiden (NL) 2011-05-25 EP disclosed
WO-2011010306-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-01-27 WO disclosed
WO-2010020981-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2010-02-25 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-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS ADORA3, ADORA2A, ADORA1 MAPK8 2113/4885MAPK10 4063/4885MAPT 4299/4885

“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.