SCHEMBL3229102

SCHEMBL3229102

CC(=O)c1ccc(-c2nc(Nc3ccc(C4(C(=O)O)CCC4)cc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.49
ADORA1 P30542 9/20 0.47
ADORA2A P29274 7/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.44
GBA1 P04062 1/20 0.44
AKT1 P31749 2/20 0.43
AKT2 P31751 2/20 0.43
ADORA2B P29275 1/20 0.42

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
SCHEMBL3232908 0.91 MAPT (0.48) ADORA3ADORA1ADORA2AABCG2MAPT
SCHEMBL3230202 0.89 MAPT (0.48) ADORA3ADORA1ADORA2AABCG2MAPT
SCHEMBL3230201 0.87 PTGS2 (0.45) ADORA3ADORA1ADORA2AABCG2MAPT
SCHEMBL13341432 0.87 MAPT (0.48) ADORA3ADORA1ADORA2AABCG2MAPT
SCHEMBL3226049 0.85 IDO1 (0.44) ADORA3ADORA1ADORA2AABCG2MAPT
SCHEMBL13309710 0.84 ABCG2 (0.41) ADORA3ADORA1ADORA2AABCG2MAPT
SCHEMBL3228755 0.83 MAPT (0.41) ADORA3ADORA1ADORA2AABCG2MAPT
SCHEMBL13456959 0.82 ADORA3 (0.42) ADORA3ADORA1ADORA2AABCG2MAPT
SCHEMBL3262310 0.82 ABCG2 (0.43) ADORA1ABCG2MEN1KMT2ANPC1
SCHEMBL3238429 0.82 MAPT (0.47) ADORA3ADORA1ADORA2AABCG2MAPT

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
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US claimed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO claimed
EP-2794663-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF Angiochem Inc. (CA) 2014-10-29 EP disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
WO-2010063124-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2010-06-10 WO disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 ADORA3 3583/4885ADORA1 2916/4885ADORA2A 3848/4885

“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.