SCHEMBL5220504

SCHEMBL5220504

COc1cccc(C(=O)N(C(=O)c2cccc(OC)c2)c2nc3ccccc3c(NCc3ccccc3)c2C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
VNN1 O95497 1/20 0.48
USP2 O75604 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
MMP13 P45452 2/20 0.44
APP P05067 1/20 0.43
RAD52 P43351 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
SCHEMBL5460979 0.91 ADORA3 (0.46) KMT2APOLBMEN1VNN1USP2
SCHEMBL6478489 0.89 LMNA (0.45) KMT2APOLBMEN1VNN1USP2
SCHEMBL6479650 0.83 MEN1 (0.54) KMT2APOLBMEN1VNN1USP2
SCHEMBL5224357 0.82 KMT2A (0.47) KMT2APOLBMEN1USP2ALDH1A1
SCHEMBL5462040 0.82 ADORA3 (0.42) KMT2APOLBMEN1ALDH1A1LMNA
SCHEMBL5964937 0.82 ADORA3 (0.40) KMT2AMEN1VNN1USP2ALDH1A1
SCHEMBL941232 0.82 SMN1; SMN2 (0.42) VNN1ALDH1A1LMNACYP3A4CYP2C9
SCHEMBL5224004 0.82 ADORA3 (0.42) KMT2APOLBMEN1ALDH1A1MAPK1
SCHEMBL6480798 0.81 ALDH1A1 (0.48) KMT2APOLBMEN1VNN1USP2
SCHEMBL940661 0.81 MAPT (0.45) KMT2AMEN1ALDH1A1MAPK1LMNA

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
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
EP-1740580-A2 CRYSTALLINE 2-AMINO-3-CYANOQUINOLINE DERIVATIVES , PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2007-01-10 EP disclosed
US-6969723-B2 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI - AVENTIS (FR) 2005-11-29 US disclosed
WO-2005100320-A2 CRYSTALLINE 2-AMINO-3-CYANOQUINOLINE DERIVATIVES, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-AVENTIS (FR) 2005-10-27 WO 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 KMT2A 2114/4885POLB 3480/4885MEN1 907/4885
US-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands ADORA3, ADORA1, ADORA2A KMT2A 2739/4885POLB 2011/4885MEN1 3078/4885

“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.