SCHEMBL5224152

SCHEMBL5224152

CN(c1ccco1)c1c(C#N)c(N(C(=O)c2ccco2)C(=O)c2ccco2)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.41
KMT2A Q03164 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
TSHR P16473 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL6478794 0.81 ADORA3 (0.47) ADORA3KMT2ANPC1RAB9AMEN1
SCHEMBL3520993 0.77 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL5224155 0.74 KMT2A (0.45) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL940176 0.74 ALDH1A1 (0.37) ADORA3KMT2ANPC1RAB9AMEN1
SCHEMBL6481655 0.72 MEN1 (0.45) ADORA3KMT2ANPC1RAB9AMEN1
SCHEMBL6487832 0.71 ADORA3 (0.44) ADORA3KMT2ANPC1RAB9AMEN1
SCHEMBL6481975 0.67 MEN1 (0.33) ADORA3KMT2AMEN1ALDH1A1MAPT
SCHEMBL8896676 0.63 ELANE (0.66) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL8897876 0.62 MAOB (0.60) KMT2ANPC1RAB9AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL11687905 0.60 L3MBTL1 (0.49) KMT2ANPC1RAB9AL3MBTL1ALDH1A1

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 6 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
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
EP-1390349-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS Sanofi-Aventis (FR) 2004-02-25 EP 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 (1 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 1027/4885KMT2A 2114/4885NPC1 1299/4885

“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.