SCHEMBL3421997

SCHEMBL3421997

COC(=O)C1(c2ccc(Nc3nc(N[C@H](C)c4ccccc4)cc(-c4ccccc4)n3)cc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 11/20 0.45
PLK1 P53350 1/20 0.40
PFKFB3 Q16875 3/20 0.39
AKT1 P31749 1/20 0.39
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
SYK P43405 1/20 0.38
MAPT P10636 1/20 0.38
OGG1 O15527 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
SCHEMBL3264612 1.00 CAMK2D (0.45) CAMK2DPLK1PFKFB3AKT1LDHA
SCHEMBL13309649 0.92 CAMK2D (0.45) CAMK2DPLK1PFKFB3LDHALDHB
SCHEMBL13309648 0.92 CAMK2D (0.45) CAMK2DPLK1PFKFB3LDHALDHB
SCHEMBL3227477 0.92 CAMK2D (0.45) CAMK2DPLK1PFKFB3LDHALDHB
SCHEMBL3420513 0.89 MAPT (0.38) CAMK2DAKT1SYKMAPT
SCHEMBL3227596 0.87 AKT1 (0.42) AKT1SYKMAPT
SCHEMBL3263499 0.86 CAMK2D (0.43) CAMK2DPLK1PFKFB3LDHALDHB
SCHEMBL3264514 0.86 CAMK2D (0.43) CAMK2DPLK1PFKFB3LDHALDHB
SCHEMBL3228961 0.84 MAPT (0.47) AKT1SYKMAPT
SCHEMBL3236168 0.84 AKT1 (0.40) PLK1AKT1SYKMAPT

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 3 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
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US 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 3165/4885PFKFB3 2285/4885

“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.