SCHEMBL4758527

SCHEMBL4758527

Clc1ccccc1-n1ncc2c1ncn1nc(-c3ccco3)nc21

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.73
KDM4E B2RXH2 3/20 0.73
ALDH1A1 P00352 3/20 0.73
HSD17B10 Q99714 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
RAB9A P51151 2/20 0.73
RXFP1 Q9HBX9 2/20 0.73
MEN1 O00255 1/20 0.73
NPC1 O15118 1/20 0.73
TP53 P04637 1/20 0.73
PPARG P37231 1/20 0.73
KMT2A Q03164 1/20 0.73
NCOA2 Q15596 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
CYP2C19 P33261 1/20 0.68
THRB P10828 1/20 0.51
ADORA2A P29274 6/20 0.47
ADORA1 P30542 6/20 0.47
HTT P42858 1/20 0.43

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
SCHEMBL4757998 0.78 RAB9A (0.69) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4759875 0.77 HSD17B10 (0.67) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4759854 0.74 KDM4E (0.66) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4758529 0.74 ADORA2A (0.68) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL1665926 0.73 RAB9A (0.61) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4760138 0.72 KDM4E (0.61) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL21832380 0.72 KDM4E (0.60) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4759908 0.72 KDM4E (0.60) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL31657842 0.71 ADORA1 (0.63) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL21962940 0.71 ADORA1 (0.63) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470698-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-12-30 US disclosed
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2007-10-25 US disclosed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US disclosed
US-20060040959-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-02-23 US disclosed
EP-1499614-A4 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2005-08-24 EP disclosed
US-6921825-B2 Adenosine A3 receptor modulators KING PHARMACEUTICUALS RESEARCH & DEVELOPMENT, INC. (US) 2005-07-26 US disclosed
EP-1499614-A1 ADENOSINE A3 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2005-01-26 EP disclosed
WO-2003095457-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-11-20 WO disclosed
US-20030144266-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-07-31 US disclosed
US-6448253-B1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-09-10 US disclosed
US-6407236-B1 TUMOR DIAGNOSIS; ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; ANTIDEPRESSANTS MEDCO RESEARCH, INC. 2002-06-18 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 (3 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-20060040959-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 MAPT 4830/4885KDM4E 4280/4885ALDH1A1 549/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 MAPT 4830/4885KDM4E 4280/4885ALDH1A1 549/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 MAPT 4849/4885KDM4E 4491/4885ALDH1A1 620/4885

“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.