SCHEMBL5224669

SCHEMBL5224669

COc1ccc(C(=O)Nc2nc3ccccc3c(NCc3ccco3)c2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ADORA3 P0DMS8 2/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
MAPK1 P28482 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 4/20 0.48
TDP1 Q9NUW8 1/20 0.47
ADORA1 P30542 2/20 0.47
ADORA2A P29274 1/20 0.47
TP53 P04637 1/20 0.47
CTNNB1 P35222 1/20 0.46
TCF7L2 Q9NQB0 1/20 0.46
MAPT P10636 6/20 0.46
LMNA P02545 3/20 0.46

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
SCHEMBL940004 0.88 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2MAPK1NPC1
SCHEMBL29371671 0.87 ADORA3 (0.53) MEN1KMT2AADORA3SMN1; SMN2NPC1
SCHEMBL5254988 0.87 ADORA3 (0.53) MEN1KMT2AADORA3SMN1; SMN2NPC1
SCHEMBL6478801 0.85 ADORA3 (0.49) MEN1KMT2AADORA3SMN1; SMN2MAPK1
SCHEMBL5224949 0.84 ADORA3 (0.48) MEN1KMT2AADORA3SMN1; SMN2MAPK1
SCHEMBL5223996 0.84 MEN1 (0.47) MEN1KMT2AADORA3SMN1; SMN2MAPK1
SCHEMBL6487837 0.83 ADORA3 (0.47) MEN1KMT2AADORA3SMN1; SMN2MAPK1
SCHEMBL6480157 0.81 KMT2A (0.53) MEN1KMT2AADORA3SMN1; SMN2MAPK1
SCHEMBL6479650 0.79 MEN1 (0.54) MEN1KMT2AADORA3SMN1; SMN2MAPK1
SCHEMBL6648902 0.79 CTNNB1 (0.49) MEN1KMT2ASMN1; SMN2MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MEN1 907/4885KMT2A 2114/4885ADORA3 1027/4885

“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.