SCHEMBL3264141

SCHEMBL3264141

CC(C)(C)Nc1cc(Nc2ccc(C3(OC=O)CCC3)cc2)nc(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 17/20 0.41
ABCB1 P08183 14/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
GBA1 P04062 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
ABCC1 P33527 8/20 0.41
IDH2 P48735 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
SCHEMBL3419572 0.86 MEN1 (0.42) ABCG2ABCB1MEN1NPC1GBA1
SCHEMBL3233801 0.84 MAPT (0.40) ABCG2MEN1NPC1GBA1KMT2A
SCHEMBL3422029 0.84 IDH2 (0.38) ABCG2NPC1RAB9AIDH2
SCHEMBL3266663 0.82 IDH2 (0.38) ABCG2NPC1RAB9AIDH2
SCHEMBL3262310 0.82 ABCG2 (0.43) ABCG2ABCB1MEN1NPC1GBA1
SCHEMBL3418294 0.81 MEN1 (0.43) ABCG2ABCB1MEN1NPC1GBA1
SCHEMBL3234454 0.80 PTGS2 (0.43) ABCG2ABCB1MEN1NPC1GBA1
SCHEMBL3419816 0.80 IDH2 (0.40) ABCG2NPC1RAB9AIDH2
SCHEMBL3227614 0.78 MAPT (0.39) ABCG2MEN1NPC1GBA1KMT2A
SCHEMBL16392161 0.78 ABCG2 (0.65) ABCG2ABCB1MEN1NPC1GBA1

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
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 ABCG2 1489/4885ABCB1 1809/4885MEN1 1320/4885

“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.