SCHEMBL3228751

SCHEMBL3228751

COC(=O)C1(c2ccc(Nc3nc(NC4CCC4)cc(-c4ccccc4)n3)cc2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.47
AKT1 P31749 1/20 0.39
ADORA1 P30542 6/20 0.39
SYK P43405 3/20 0.39
MERTK Q12866 2/20 0.38
MAPT P10636 2/20 0.38
ADORA3 P0DMS8 4/20 0.38
ADORA2A P29274 4/20 0.38
GPR39 O43194 1/20 0.38
KDM4E B2RXH2 1/20 0.37
AURKB Q96GD4 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 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
SCHEMBL3229491 0.91 VCP (0.49) VCPADORA1SYKMERTKADORA3
SCHEMBL3228814 0.89 VCP (0.52) VCPADORA1SYKMERTKADORA3
SCHEMBL3227596 0.88 AKT1 (0.42) VCPAKT1ADORA1SYKMAPT
SCHEMBL3229963 0.86 ADORA1 (0.38) VCPAKT1ADORA1SYKMAPT
SCHEMBL3228961 0.85 MAPT (0.47) VCPAKT1SYKMAPTLMNA
SCHEMBL3236168 0.85 AKT1 (0.40) VCPAKT1ADORA1SYKMAPT
SCHEMBL13456904 0.84 VCP (0.48) VCP
SCHEMBL13456945 0.84 AKT1 (0.39) VCPAKT1ADORA1SYKMAPT
SCHEMBL3229585 0.83 SYK (0.40) VCPAKT1ADORA1SYKMAPT
SCHEMBL3421997 0.83 CAMK2D (0.45) AKT1SYKMAPT

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 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 VCP 4664/4885AKT1 4114/4885ADORA1 2916/4885

“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.