SCHEMBL831152

SCHEMBL831152

O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)N(Cc1ccc(F)cc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
CYP2C9 P11712 1/20 0.47
KCNE1 P15382 1/20 0.45
CCR1 P32246 1/20 0.45
KCNQ1 P51787 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CALCA P06881 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL1750602 0.80 MAPT (0.63) KCNH2CYP2C9MAPTCALCAGAA
SCHEMBL1376535 0.80 MAPT (0.61) KCNH2CYP2C9MAPTCALCAGAA
SCHEMBL1376994 0.79 MAPT (0.60) KCNH2CYP2C9MAPTCALCAGAA
SCHEMBL2531998 0.79 TP53 (0.51) KCNH2CYP2C9MAPTSMN1; SMN2CALCA
SCHEMBL2207526 0.79 SCD (0.52) KCNH2CYP2C9MAPTSMN1; SMN2CALCA
SCHEMBL2205473 0.78 KCNH2 (0.50) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2204798 0.77 MAPT (0.51) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL831206 0.77 KCNH2 (0.47) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2208982 0.76 MAPT (0.50) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL1380510 0.76 KCNH2 (0.51) KCNH2CYP2C9KCNE1CCR1KCNQ1

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 70/4885KCNE1 3502/4885

“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.