SCHEMBL3266663

SCHEMBL3266663

CC(C)(C)Nc1cc(-c2ccccc2)nc(Nc2ccc(C3(OC=O)CCCC3)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.38
SYK P43405 1/20 0.38
PLK1 P53350 5/20 0.38
MAPT P10636 4/20 0.35
TP53 P04637 3/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGS2 P35354 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
VCP P55072 1/20 0.34
ADORA1 P30542 2/20 0.34
THRB P10828 1/20 0.33
AGPAT2 O15120 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL3422029 0.98 IDH2 (0.38) IDH2SYKPLK1MAPTTP53
SCHEMBL3419816 0.96 IDH2 (0.40) IDH2SYKPLK1MAPTTP53
SCHEMBL3233801 0.90 MAPT (0.40) IDH2SYKPLK1MAPTTP53
SCHEMBL3235616 0.87 SYK (0.40) SYKMAPTTP53LMNAPOLB
SCHEMBL3264141 0.82 ABCG2 (0.41) IDH2NPC1RAB9AABCG2
SCHEMBL3264006 0.82 SYK (0.42) IDH2SYKPLK1MAPTTP53
SCHEMBL3233990 0.82 VCP (0.44) SYKKDM4EVCPADORA1
SCHEMBL3229294 0.82 VCP (0.46) SYKLMNAKDM4EHTTVCP
SCHEMBL3233767 0.82 PTGS2 (0.34) IDH2SYKMAPTTP53LMNA
SCHEMBL3229585 0.82 SYK (0.40) IDH2SYKPLK1MAPTTP53

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-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

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 IDH2 2386/4885SYK 571/4885PLK1 3165/4885

“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.