SCHEMBL3227596

SCHEMBL3227596

CNc1cc(-c2ccccc2)nc(Nc2ccc(C3(C(=O)OC)CCC3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.42
SYK P43405 1/20 0.42
MAPT P10636 4/20 0.41
VCP P55072 1/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
BPTF Q12830 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ADORA1 P30542 7/20 0.37
ADORA3 P0DMS8 3/20 0.37
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
ADORA2A P29274 2/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTGDR Q13258 1/20 0.35
ADORA2B P29275 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL3224000 0.91 SYK (0.44) SYKMAPTVCPTP53LMNA
SCHEMBL3228961 0.89 MAPT (0.47) AKT1SYKMAPTVCPTP53
SCHEMBL3236168 0.89 AKT1 (0.40) AKT1SYKMAPTVCPTP53
SCHEMBL3228751 0.88 VCP (0.47) AKT1SYKMAPTVCPTP53
SCHEMBL13456904 0.88 VCP (0.48) VCP
SCHEMBL13456945 0.88 AKT1 (0.39) AKT1SYKMAPTVCPTP53
SCHEMBL3229585 0.87 SYK (0.40) AKT1SYKMAPTVCPTP53
SCHEMBL3421997 0.87 CAMK2D (0.45) AKT1SYKMAPT
SCHEMBL3264612 0.87 CAMK2D (0.45) AKT1SYKMAPT
SCHEMBL3234072 0.87 AKT1 (0.46) AKT1MAPTADORA1ADORA3MAPK8

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

“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.