SCHEMBL4758468

SCHEMBL4758468

CC(c1ccccc1)n1ncc(C#N)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 7/20 0.40
MEN1 O00255 1/20 0.40
XDH P47989 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPT P10636 2/20 0.38
CSNK2A1 P68400 1/20 0.38
HTT P42858 1/20 0.38
AR P10275 1/20 0.38
HPGD P15428 2/20 0.38
F2 P00734 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ATM Q13315 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL55228 0.79 KDM4E (0.44) KMT2AKDM4EMEN1XDHNPSR1
SCHEMBL4759855 0.76 KDM4E (0.41) KMT2AKDM4EMEN1XDHNPSR1
SCHEMBL25432012 0.75 KMT2A (0.42) KMT2AKDM4EMEN1XDHNPSR1
SCHEMBL25432010 0.75 KMT2A (0.42) KMT2AKDM4EMEN1XDHNPSR1
SCHEMBL6997571 0.74 ALDH1A1 (0.38) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL4074462 0.72 ALDH1A1 (0.41) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL1664856 0.71 PKM (0.41) KMT2AKDM4EMEN1XDHNPSR1
SCHEMBL9954346 0.71 ALDH1A1 (0.39) ALDH1A1CSNK2A1HTTARHPGD
SCHEMBL9955165 0.70 CREBBP (0.37) ALDH1A1HTTHPGD
SCHEMBL4758014 0.70 ALDH1A1 (0.38) KMT2AKDM4EMEN1NPSR1ALDH1A1

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 14 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-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 KMT2A 2803/4885KDM4E 4280/4885MEN1 2079/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 KMT2A 2803/4885KDM4E 4280/4885MEN1 2079/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 KMT2A 2948/4885KDM4E 4491/4885MEN1 2535/4885

“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.