SCHEMBL3229565

SCHEMBL3229565

N#CC1(c2ccc(Nc3nc(NC4CCCC4)cc(-c4ccccc4)n3)cc2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.45
KDM4E B2RXH2 1/20 0.42
GPR39 O43194 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
SYK P43405 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
SRC P12931 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MERTK Q12866 3/20 0.38

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
SCHEMBL3228814 0.82 VCP (0.52) VCPKDM4EGPR39SYKADORA3
SCHEMBL3229294 0.81 VCP (0.46) VCPKDM4EGPR39SYKADORA3
SCHEMBL3229491 0.80 VCP (0.49) VCPKDM4EGPR39SYKADORA3
SCHEMBL3233990 0.79 VCP (0.44) VCPKDM4EGPR39SYKADORA3
SCHEMBL3228751 0.77 VCP (0.47) VCPKDM4EGPR39SYKADORA3
SCHEMBL13341886 0.73 VCP (0.42) VCPKDM4ESYKADORA3MERTK
SCHEMBL13127047 0.71 VCP (0.48) VCPKDM4EGPR39SYKADORA3
SCHEMBL13110714 0.71 BCL6 (0.54) VCPKDM4EGPR39MEN1NPC1
SCHEMBL13309931 0.68 ADORA1 (0.63) VCPKDM4EGPR39ADORA3MEN1
SCHEMBL3229954 0.68 IDH2 (0.43) VCPABCG2SYKMEN1NPC1

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 6 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
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

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 4664/4885KDM4E 377/4885GPR39 884/4885

“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.