SCHEMBL5460979

SCHEMBL5460979

COc1ccc(C(=O)N(C(=O)c2ccc(OC)cc2)c2nc3ccccc3c(NCc3ccccc3)c2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
EGFR P00533 1/20 0.46
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
VNN1 O95497 2/20 0.44
RAD52 P43351 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
USP2 O75604 1/20 0.43
CYP1A2 P05177 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
SCHEMBL5220504 0.91 KMT2A (0.48) ADORA3POLBKMT2AVNN1RAD52
SCHEMBL5224004 0.90 ADORA3 (0.42) ADORA3EGFRPOLBKMT2ASMN1; SMN2
SCHEMBL5462040 0.90 ADORA3 (0.42) ADORA3EGFRPOLBKMT2ASMN1; SMN2
SCHEMBL941232 0.89 SMN1; SMN2 (0.42) ADORA3VNN1SMN1; SMN2ADORA2AADORA1
SCHEMBL5223996 0.88 MEN1 (0.47) ADORA3POLBKMT2ASMN1; SMN2LMNA
SCHEMBL5462036 0.88 KMT2A (0.48) ADORA3POLBKMT2ASMN1; SMN2ADORA2A
SCHEMBL5224357 0.87 KMT2A (0.47) POLBKMT2ARAD52LMNAALDH1A1
SCHEMBL940661 0.87 MAPT (0.45) EGFRKMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL5964937 0.87 ADORA3 (0.40) ADORA3EGFRKMT2AVNN1SMN1; SMN2
SCHEMBL941239 0.84 HTR6 (0.44) ADORA3POLBKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390349-B1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI SA (FR) 2012-07-25 EP disclosed
US-20070249669-A1 CRYSTALLINE 2-AMINO-3-CYANOQUINOLINE DERIVATIVES, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-AVENTIS (FR) 2007-10-25 US disclosed
US-6969723-B2 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI - AVENTIS (FR) 2005-11-29 US disclosed
US-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI (FR) 2004-09-23 US disclosed
EP-1390349-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS Sanofi-Aventis (FR) 2004-02-25 EP disclosed
WO-2002096879-A9 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI SYNTHELABO (FR) 2003-11-20 WO disclosed
WO-2002096879-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-SYNTHELABO (FR) 2002-12-05 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 (2 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-20070249669-A1 CRYSTALLINE 2-AMINO-3-CYANOQUINOLINE DERIVATIVES, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SFPQ, ADRB3, KCNQ3 ADORA3 1027/4885EGFR 4238/4885POLB 3480/4885
US-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands ADORA3, ADORA1, ADORA2A ADORA3 1/4885EGFR 1460/4885POLB 2011/4885

“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.