SCHEMBL3049786

SCHEMBL3049786

COc1cc(-c2cc3c(CN4CCCC4)cccc3n2C(=O)OC(C)(C)C)c2c(c1OS(C)(=O)=O)CNC2=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NQO2 P16083 1/20 0.32
ACHE P22303 2/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
INSR P06213 1/20 0.31
IGF1R P08069 1/20 0.31
MET P08581 1/20 0.31
PDGFRB P09619 1/20 0.31
CDK4 P11802 1/20 0.31
SRC P12931 1/20 0.31
BRAF P15056 1/20 0.31
CCND1 P24385 1/20 0.31
CDK2 P24941 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL3039033 0.89 NQO2 (0.33) NQO2PLK4AURKAEGFRERBB2
SCHEMBL3046341 0.88 NQO2 (0.32) NQO2PLK4AURKAEGFRERBB2
SCHEMBL3046651 0.87 CD274 (0.32) NQO2PLK4AURKAEGFRERBB2
SCHEMBL3045802 0.85 NR1H2 (0.34) NQO2ACHENR1H2
SCHEMBL3039613 0.85 NQO2 (0.34) NQO2PLK4AURKAEGFRERBB2
SCHEMBL5049617 0.85 POLB (0.34) MEN1KMT2AACHENR1H2
SCHEMBL3039600 0.84 NR1H2 (0.34) NQO2NR1H2BRD4CREBBP
SCHEMBL3053934 0.83 CCNB2 (0.34) NQO2PLK4AURKAEGFRERBB2
SCHEMBL3043790 0.83 NR1H2 (0.45) NR1H2BRD4CREBBP
SCHEMBL3150831 0.80 NR1H2 (0.35) NQO2NR1H2

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-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 MEN1 1165/4885KMT2A 320/4885NQO2 308/4885

“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.