SCHEMBL1773262

SCHEMBL1773262

Brc1ccc(Cc2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.56
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRNA7 P36544 1/20 0.47
LTA4H P09960 1/20 0.47

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
SCHEMBL727185 0.85 CYP1A2 (0.62) TBXAS1CYP11B1CYP11B2HRH4HRH3
SCHEMBL29995759 0.83 CYP11B1 (0.65) TBXAS1CYP11B1CYP11B2HRH4HRH3
SCHEMBL177863 0.83 CYP11B1 (0.65) TBXAS1CYP11B1CYP11B2HRH4HRH3
SCHEMBL8307942 0.82 CYP11B1 (0.47) TBXAS1CYP11B1CYP11B2HRH4HRH3
Hydrochloric Acid SCHEMBL10665044 0.81 TBXAS1 (0.64) TBXAS1CYP11B1CYP11B2HRH4HRH3
Ammonia Solution, Strong SCHEMBL5999508 0.81 CYP11B1 (0.62) TBXAS1CYP11B1CYP11B2HRH4HRH3
SCHEMBL3758352 0.80 TBXAS1 (0.56) TBXAS1CYP11B1CYP11B2HRH4HRH3
SCHEMBL4248371 0.80 TBXAS1 (0.60) TBXAS1CYP11B1CYP11B2
SCHEMBL6649631 0.80 TBXAS1 (0.56) TBXAS1CYP11B1CYP11B2HRH4HRH3
SCHEMBL5780182 0.80 ALDH1A1 (0.59) TBXAS1CYP11B1CYP11B2

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-116854697-A Organic small molecule based on diindolylcarbazole structure and application thereof 深圳大学 2023-10-10 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 TBXAS1 1732/4885CYP11B1 104/4885CYP11B2 40/4885

“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.