SCHEMBL3228762

SCHEMBL3228762

COc1ccc(-c2nc(Nc3ccc(C4(OC=O)CCC4)cc3)cc(-c3ccccc3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
ACP1 P24666 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.37
PDE4B Q07343 2/20 0.37
PDE4D Q08499 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36

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
SCHEMBL3228755 0.85 MAPT (0.41) KDM1AACP1ABCG2PIK3CDPIK3CA
SCHEMBL3234454 0.82 PTGS2 (0.43) KDM1AABCG2MEN1KMT2AMAPT
SCHEMBL3233801 0.77 MAPT (0.40) ABCG2MEN1KMT2AMAPTTP53
SCHEMBL3264141 0.77 ABCG2 (0.41) ABCG2MEN1KMT2AABCB1ABCC1
SCHEMBL3227614 0.76 MAPT (0.39) ABCG2MEN1KMT2AMAPTTP53
SCHEMBL3235616 0.76 SYK (0.40) ABCG2MAPTTP53LMNAPOLB
SCHEMBL3229538 0.75 MAPT (0.46) ABCG2MEN1KMT2AMAPTTP53
SCHEMBL3422029 0.73 IDH2 (0.38) ABCG2MAPTTP53LMNAPOLB
SCHEMBL3221101 0.73 PIK3CA (0.56) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3226049 0.73 IDO1 (0.44) ABCG2MEN1KMT2AMAPTTP53

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 4 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
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 KDM1A 306/4885ACP1 4163/4885ABCG2 1489/4885

“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.