SCHEMBL3387585

SCHEMBL3387585

Cc1cccn(CCCNC(=O)OC(C)(C)C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.47
CAMK2D Q13557 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
PDPK1 O15530 1/20 0.42
CCNB2 O95067 1/20 0.42
PRKCB P05771 1/20 0.42
CDK1 P06493 1/20 0.42
LYN P07948 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
RPS6KA3 P51812 1/20 0.42
CCNA1 P78396 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
MALT1 Q9UDY8 1/20 0.41

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
SCHEMBL21389406 0.92 DRD2 (0.45) DRD2TDP1SIGMAR1MALT1
SCHEMBL3388119 0.84 DRD2 (0.44) DRD2CAMK2DTDP1SIGMAR1MEN1
SCHEMBL24618412 0.83 DRD2 (0.48) DRD2CAMK2DTDP1SIGMAR1MEN1
SCHEMBL24618706 0.82 DRD2 (0.43) DRD2CAMK2DTDP1SIGMAR1PDPK1
SCHEMBL18379444 0.82 DRD2 (0.47) DRD2CAMK2DPDPK1CCNB2PRKCB
SCHEMBL20386735 0.80 DRD2 (0.48) DRD2CAMK2DSIGMAR1PDPK1CCNB2
SCHEMBL6675697 0.79 DRD2 (0.46) DRD2CAMK2DTDP1SIGMAR1MEN1
SCHEMBL20945124 0.79 DRD2 (0.44) DRD2TDP1SIGMAR1MALT1
SCHEMBL24618544 0.78 BRD4 (0.42) DRD2CAMK2DTDP1SIGMAR1PDPK1
SCHEMBL29792012 0.78 BRD4 (0.42) DRD2CAMK2DTDP1SIGMAR1PDPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 DRD2 671/4885CAMK2D 1298/4885TDP1 4821/4885

“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.