SCHEMBL1773897

SCHEMBL1773897

Brc1ccc(Cn2cccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
GAA P10253 2/20 0.60
HDAC1 Q13547 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
NOS3 P29474 1/20 0.54
NOS1 P29475 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
CYP19A1 P11511 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL16297159 0.86 MAPT (0.55) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL16246919 0.85 MAPT (0.60) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL22181781 0.84 CA12 (0.71) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL17221602 0.82 MAPT (0.62) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL3397894 0.82 GAA (0.67) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL7627846 0.82 MAPT (0.62) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL301503 0.82 GAA (0.62) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL324202 0.82 MAPT (0.61) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL28052353 0.81 MAPT (0.57) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL12321326 0.81 MAPT (0.60) MAPTGAAHDAC1HDAC6NOS3

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
CN-103201262-A Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS INC 2013-07-10 CN disclosed
CN-102066337-A 5-hydroxypyrimidine-4-carboxamide compounds DAIICHI SANKYO CO LTD 2011-05-18 CN disclosed
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 MAPT 4845/4885GAA 4136/4885HDAC1 570/4885

“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.