SCHEMBL831206

SCHEMBL831206

N#CC1CN(Cc2ccc(F)cc2)n2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.40
KCNE1 P15382 1/20 0.40
CCR1 P32246 1/20 0.40
KCNQ1 P51787 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
CALCA P06881 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGER4 P35408 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 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
SCHEMBL831152 0.77 KCNH2 (0.47) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL13691554 0.70 KCNH2 (0.55) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL1150414 0.70 KCNH2 (0.51) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL2205142 0.70 KCNH2 (0.61) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL826189 0.70 KCNE1 (0.43) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL12433081 0.70 KCNH2 (0.59) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL1150215 0.70 KCNH2 (0.50) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL1150674 0.70 KCNH2 (0.52) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL1380510 0.69 KCNH2 (0.51) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL5097935 0.69 KCNH2 (0.51) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 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-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD KCNH2 2546/4885CYP2C9 70/4885SMN1; SMN2 1064/4885

“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.