SCHEMBL2120263

SCHEMBL2120263

c1cnc(NCc2cccnc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.65
CYP1A2 P05177 3/20 0.64
CYP2D6 P10635 2/20 0.64
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
VNN1 O95497 4/20 0.60
ALDH1A1 P00352 3/20 0.59
CYP2C19 P33261 2/20 0.58
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
PABPC1 P11940 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP3A4 P08684 2/20 0.54
GPR84 Q9NQS5 1/20 0.54
ALOX15 P16050 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54

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
SCHEMBL11638075 0.89 LTA4H (0.61) LTA4HCYP1A2CYP2D6HDAC3HDAC1
SCHEMBL22190975 0.87 HDAC1 (0.61) LTA4HCYP1A2CYP2D6HDAC3HDAC1
SCHEMBL23094488 0.84 HDAC3 (0.62) LTA4HCYP1A2CYP2D6HDAC3HDAC1
SCHEMBL21381213 0.83 HDAC3 (0.61) LTA4HCYP1A2CYP2D6HDAC3HDAC1
SCHEMBL30074037 0.82 FABP1 (0.71) LTA4HCYP1A2CYP2D6ALDH1A1CYP2C19
SCHEMBL3933500 0.82 FABP1 (0.71) LTA4HCYP1A2CYP2D6ALDH1A1CYP2C19
SCHEMBL5596295 0.81 LTA4H (0.53) LTA4HCYP1A2CYP2D6HDAC3HDAC1
SCHEMBL1763523 0.80 LTA4H (0.56) LTA4HCYP1A2CYP2D6HDAC3HDAC1
SCHEMBL19779254 0.80 VNN1 (0.77) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL5605047 0.80 LTA4H (0.82) LTA4HCYP1A2CYP2D6ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095011-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-04-19 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-20120095011-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 LTA4H 840/4885CYP1A2 64/4885CYP2D6 32/4885

“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.