SCHEMBL4758012

SCHEMBL4758012

CCCCn1nc(N)c(C#N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
GRK6 P43250 1/20 0.34
CTSK P43235 4/20 0.33
ADORA2A P29274 1/20 0.31
RECQL P46063 1/20 0.31
KDM4E B2RXH2 3/20 0.31
GAA P10253 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
HTT P42858 3/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL4759555 0.93 KDR (0.37) ALDH1A1MAPK1CTSKKDM4EGAA
SCHEMBL4760137 0.84 KDM4E (0.33) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL4760168 0.77 KDM4E (0.34) ALDH1A1RECQLKDM4EHSD17B10MAPT
SCHEMBL21843227 0.72 TSHR (0.44) TOP2AALDH1A1ADORA2AMAPTLMNA
SCHEMBL693077 0.70 GRK6 (0.36) ALDH1A1MAPK1GRK6CTSKRECQL
SCHEMBL11002575 0.70
SCHEMBL21843228 0.67 CYP3A4 (0.45) TOP2AALDH1A1MAPK1ADORA2AKDM4E
SCHEMBL11546078 0.67 GRK6 (0.42) ALDH1A1MAPK1GRK6RECQLKDM4E
SCHEMBL4760122 0.66 TSHR (0.47) ALDH1A1ADORA2AKDM4EGAAMAPT
SCHEMBL693498 0.66 ALDH1A1 (0.37) ALDH1A1MAPK1GRK6CTSKKDM4E

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
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-2000015231-A9 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RES INC (US) 2000-08-17 WO disclosed
WO-2000015231-A1 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RESEARCH INC. (US) 2000-03-23 WO 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 TOP2A 3660/4885ALDH1A1 549/4885MAPK1 4416/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 TOP2A 3660/4885ALDH1A1 549/4885MAPK1 4416/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 TOP2A 3057/4885ALDH1A1 620/4885MAPK1 4121/4885

“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.