SCHEMBL3229585

SCHEMBL3229585

COC(=O)C1(c2ccc(Nc3nc(NC(C)(C)C)cc(-c4ccccc4)n3)cc2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
MAPT P10636 3/20 0.39
AKT1 P31749 1/20 0.39
ADORA1 P30542 4/20 0.38
IDH2 P48735 1/20 0.38
VCP P55072 1/20 0.38
TP53 P04637 2/20 0.37
PLK1 P53350 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
PTGDR Q13258 1/20 0.36
P2RY1 P47900 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HDAC1 Q13547 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL3236168 0.98 AKT1 (0.40) SYKMAPTAKT1ADORA1IDH2
SCHEMBL3263870 0.96 SYK (0.41) SYKMAPTAKT1ADORA1IDH2
SCHEMBL3264006 0.91 SYK (0.42) SYKMAPTADORA1IDH2VCP
SCHEMBL3268108 0.91 MAPT (0.43) SYKMAPTAKT1ADORA1IDH2
SCHEMBL3234022 0.89 SYK (0.42) SYKMAPTADORA1IDH2VCP
SCHEMBL3263101 0.89 SYK (0.41) SYKMAPTADORA1IDH2VCP
SCHEMBL3419382 0.88 SYK (0.43) SYKMAPTAKT1ADORA1IDH2
Dimethylamine SCHEMBL3266676 0.88 SYK (0.40) SYKMAPTADORA1IDH2VCP
SCHEMBL3227596 0.87 AKT1 (0.42) SYKMAPTAKT1ADORA1VCP
SCHEMBL3265292 0.87 SYK (0.43) SYKMAPTADORA1IDH2VCP

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 5 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 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 SYK 571/4885MAPT 4861/4885AKT1 4114/4885

“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.