SCHEMBL3229294

SCHEMBL3229294

O=COC1(c2ccc(Nc3nc(NC4CCCC4)cc(-c4ccccc4)n3)cc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.46
KDM4E B2RXH2 1/20 0.41
GPR39 O43194 1/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
SYK P43405 1/20 0.38
MERTK Q12866 5/20 0.37
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3233990 0.98 VCP (0.44) VCPKDM4EGPR39CDC7DBF4
SCHEMBL3235616 0.86 SYK (0.40) VCPKDM4EGPR39ADORA3SYK
SCHEMBL3228889 0.85 ADORA1 (0.39) VCPADORA3SYKADORA1ADORA2A
SCHEMBL3422029 0.84 IDH2 (0.38) VCPKDM4ESYKADORA1LMNA
SCHEMBL3228814 0.83 VCP (0.52) VCPKDM4EGPR39CDC7DBF4
SCHEMBL3266663 0.82 IDH2 (0.38) VCPKDM4ESYKADORA1LMNA
SCHEMBL3229491 0.81 VCP (0.49) VCPKDM4EGPR39CDC7DBF4
SCHEMBL3229565 0.81 VCP (0.45) VCPKDM4EGPR39ADORA3SYK
SCHEMBL3233801 0.80 MAPT (0.40) VCPKDM4ESYKADORA1LMNA
SCHEMBL3419816 0.80 IDH2 (0.40) VCPSYKADORA1LMNA

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 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
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.