SCHEMBL4759875

SCHEMBL4759875

CC(C)(C)n1ncc2c1ncn1nc(-c3ccco3)nc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.67
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
RAB9A P51151 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
NPC1 O15118 1/20 0.67
TP53 P04637 1/20 0.67
MAPT P10636 1/20 0.67
PPARG P37231 1/20 0.67
NCOA2 Q15596 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67
CYP2C19 P33261 1/20 0.62
ADORA2A P29274 9/20 0.49
ADORA1 P30542 9/20 0.49
ADA P00813 6/20 0.48
TSHR P16473 1/20 0.45
ADORA3 P0DMS8 1/20 0.44

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 0.85 RAB9A (0.69) HSD17B10KDM4EALDH1A1RAB9AMEN1
SCHEMBL4759209 0.80 ADA (0.71) ADORA2AADORA1ADAADORA3ADORA2B
SCHEMBL4760138 0.79 KDM4E (0.61) HSD17B10KDM4EALDH1A1RAB9AMEN1
SCHEMBL4759908 0.78 KDM4E (0.60) HSD17B10KDM4EALDH1A1RAB9AMEN1
SCHEMBL4759854 0.78 KDM4E (0.66) HSD17B10KDM4EALDH1A1RAB9AMEN1
SCHEMBL21832380 0.78 KDM4E (0.60) HSD17B10KDM4EALDH1A1RAB9AMEN1
SCHEMBL4758527 0.77 MAPT (0.73) HSD17B10KDM4EALDH1A1RAB9AMEN1
SCHEMBL4758529 0.76 ADORA2A (0.68) HSD17B10KDM4EALDH1A1RAB9AMEN1
SCHEMBL4759860 0.76 HSD17B10 (0.57) HSD17B10KDM4EALDH1A1RAB9AMEN1
SCHEMBL1665926 0.75 RAB9A (0.61) HSD17B10KDM4EALDH1A1RAB9AMEN1

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 9 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
US-6921825-B2 Adenosine A3 receptor modulators KING PHARMACEUTICUALS RESEARCH & DEVELOPMENT, INC. (US) 2005-07-26 US 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 HSD17B10 3706/4885KDM4E 4280/4885ALDH1A1 549/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 HSD17B10 3706/4885KDM4E 4280/4885ALDH1A1 549/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 HSD17B10 3817/4885KDM4E 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.