SCHEMBL3230202

SCHEMBL3230202

O=C(O)C1(c2ccc(Nc3cc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)cc2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
ABCG2 Q9UNQ0 2/20 0.47
ADORA2A P29274 10/20 0.46
ADORA3 P0DMS8 10/20 0.46
ADORA1 P30542 11/20 0.44
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ADORA2B P29275 1/20 0.41
IDO1 P14902 1/20 0.40
APP P05067 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL3238429 0.90 MAPT (0.47) MAPTLMNATP53THRBABCG2
SCHEMBL3227518 0.90 MAPT (0.48) MAPTLMNATP53THRBABCG2
SCHEMBL3229102 0.89 ADORA3 (0.49) MAPTABCG2ADORA2AADORA3ADORA1
SCHEMBL3230201 0.86 PTGS2 (0.45) MAPTABCG2ADORA2AADORA3ADORA1
SCHEMBL13341432 0.86 MAPT (0.48) MAPTLMNATP53ABCG2ADORA2A
SCHEMBL3226049 0.84 IDO1 (0.44) MAPTLMNATP53ABCG2ADORA2A
SCHEMBL13309710 0.83 ABCG2 (0.41) MAPTLMNATP53ABCG2ADORA2A
SCHEMBL3232544 0.82 CYP1A2 (0.49) LMNATP53ADORA2AADORA3ADORA1
SCHEMBL3228755 0.82 MAPT (0.41) MAPTLMNAABCG2ADORA2AADORA3
SCHEMBL3228961 0.81 MAPT (0.47) MAPTLMNATP53THRB

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
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
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-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 MAPT 4861/4885LMNA 4521/4885TP53 943/4885

“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.