SCHEMBL4758529

SCHEMBL4758529

c1ccc(CCn2ncc3c2ncn2nc(-c4ccco4)nc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.68
ADORA1 P30542 7/20 0.68
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 3/20 0.68
RAB9A P51151 3/20 0.68
HSD17B10 Q99714 3/20 0.68
NPC1 O15118 2/20 0.68
TP53 P04637 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
ADORA3 P0DMS8 2/20 0.68
ADORA2B P29275 2/20 0.68
CYP3A4 P08684 1/20 0.68
HPGD P15428 1/20 0.68
ALOX15 P16050 1/20 0.68
MAPK1 P28482 1/20 0.68
MEN1 O00255 1/20 0.66
MAPT P10636 1/20 0.66
PPARG P37231 1/20 0.66
KMT2A Q03164 1/20 0.66
NCOA2 Q15596 1/20 0.66

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
SCHEMBL29794056 0.84 ADORA2A (0.54) ADORA2AADORA1KDM4EALDH1A1RAB9A
SCHEMBL4760138 0.84 KDM4E (0.61) ADORA2AADORA1KDM4EALDH1A1RAB9A
SCHEMBL21832380 0.83 KDM4E (0.60) ADORA2AADORA1KDM4EALDH1A1RAB9A
SCHEMBL4759908 0.83 KDM4E (0.60) ADORA2AADORA1KDM4EALDH1A1RAB9A
Sch-58261 SCHEMBL537287 0.81 ADORA2A (1.00) ADORA2AADORA1KDM4EALDH1A1RAB9A
SCHEMBL4759860 0.81 HSD17B10 (0.57) ADORA2AADORA1KDM4EALDH1A1RAB9A
SCHEMBL6216600 0.80 ADORA2A (0.67) ADORA2AADORA1KDM4EALDH1A1RAB9A
SCHEMBL4757998 0.80 RAB9A (0.69) ADORA2AADORA1KDM4EALDH1A1RAB9A
SCHEMBL4759539 0.79 ADORA3 (0.68) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL6212976 0.77 ADORA3 (0.70) ADORA2AADORA1KDM4EALDH1A1RAB9A

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 12 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
WO-1995001356-A1 1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE HETEROCYCLIC ANALOGUES HAVING ANTAGONISTIC ACTIVITY ON ADENOSINE A2 RECEPTOR SCHERING-PLOUGH S.P.A. (IT) 1995-01-12 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 (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 ADORA2A 2/4885ADORA1 3/4885KDM4E 4280/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885KDM4E 4280/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885KDM4E 4491/4885

“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.