SCHEMBL3227477

SCHEMBL3227477

CC(Nc1cc(-c2ccccc2)nc(Nc2ccc(C3(C(=O)O)CCC3)cc2)n1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 11/20 0.45
PLK1 P53350 1/20 0.41
LDHA P00338 1/20 0.40
LDHB P07195 1/20 0.40
SYK P43405 1/20 0.40
PFKFB3 Q16875 1/20 0.39
OGG1 O15527 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA1 P30542 1/20 0.38
VCP P55072 1/20 0.38
TACR3 P29371 1/20 0.37

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
SCHEMBL13309649 1.00 CAMK2D (0.45) CAMK2DPLK1LDHALDHBSYK
SCHEMBL13309648 1.00 CAMK2D (0.45) CAMK2DPLK1LDHALDHBSYK
SCHEMBL3421997 0.92 CAMK2D (0.45) CAMK2DPLK1LDHALDHBSYK
SCHEMBL3264612 0.92 CAMK2D (0.45) CAMK2DPLK1LDHALDHBSYK
SCHEMBL3230127 0.87 IRAK4 (0.39) SYKVCPTACR3
SCHEMBL3228769 0.87 IRAK4 (0.39) SYKVCPTACR3
SCHEMBL3264514 0.86 CAMK2D (0.43) CAMK2DPLK1LDHALDHBSYK
SCHEMBL3420476 0.86 CAMK2D (0.45) CAMK2DPLK1LDHALDHBSYK
SCHEMBL3234459 0.86 CAMK2D (0.45) CAMK2DPLK1LDHALDHBSYK
SCHEMBL3263499 0.86 CAMK2D (0.43) CAMK2DPLK1LDHALDHBSYK

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 CAMK2D 1584/4885PLK1 3165/4885LDHA 4768/4885

“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.