SCHEMBL3229491

SCHEMBL3229491

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.49
ADORA1 P30542 7/20 0.42
SYK P43405 2/20 0.41
ADORA2A P29274 5/20 0.40
ADORA3 P0DMS8 4/20 0.40
MERTK Q12866 2/20 0.40
KDM4E B2RXH2 1/20 0.40
AURKB Q96GD4 1/20 0.38
CNR1 P21554 1/20 0.38
GPR39 O43194 1/20 0.38
AKR1C1 Q04828 1/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 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 0.98 VCP (0.52) VCPADORA1SYKADORA2AADORA3
SCHEMBL3228751 0.91 VCP (0.47) VCPADORA1SYKADORA2AADORA3
SCHEMBL13341886 0.89 VCP (0.42) VCPADORA1SYKADORA2AADORA3
SCHEMBL3224000 0.86 SYK (0.44) VCPADORA1SYKADORA2AADORA3
SCHEMBL3228883 0.85 ADORA1 (0.40) VCPADORA1SYKADORA2AADORA3
SCHEMBL3227518 0.84 MAPT (0.48) VCPSYKAKR1C1
SCHEMBL3227443 0.84 AURKB (0.41) VCPSYKMERTKAURKBCNR1
SCHEMBL3234022 0.83 SYK (0.42) VCPADORA1SYKADORA2AADORA3
SCHEMBL3233990 0.83 VCP (0.44) VCPADORA1SYKADORA2AADORA3
SCHEMBL3261619 0.82 VCP (0.42) VCPADORA1SYKADORA2AADORA3

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 7 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
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 4664/4885ADORA1 2916/4885SYK 571/4885

“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.