SCHEMBL2987486

SCHEMBL2987486

Oc1ccc(-c2nc3cccc(Br)n3c2NC2CCCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.62
ADORA1 P30542 1/20 0.50
BACE1 P56817 1/20 0.45
GAA P10253 2/20 0.45
BRD4 O60885 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
TRIM24 O15164 1/20 0.42
ROCK2 O75116 1/20 0.42
PIM1 P11309 1/20 0.42
GSK3B P49841 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL2983468 0.86 ALOX5 (0.62) ALOX5ADORA1BACE1GAABRD4
SCHEMBL1965930 0.79 ADORA1 (0.78) ALOX5ADORA1BACE1GAABRD4
SCHEMBL19464198 0.78 GAA (0.65) ADORA1BACE1GAATP53MAPT
SCHEMBL1964933 0.78 ALOX5 (0.43) ALOX5ADORA1BACE1GAAMAPT
SCHEMBL2977837 0.77 ADORA1 (0.76) ALOX5ADORA1BACE1GAABRD4
SCHEMBL2986701 0.77 ALOX5 (1.00) ALOX5BACE1GAATRIM33TRIM24
Acetic Acid SCHEMBL19463973 0.75 GAA (0.57) ADORA1BACE1GAATP53MAPT
Acetic Acid SCHEMBL19463932 0.74 GAA (0.56) BACE1GAATP53MAPTTRIM33
Acetic Acid SCHEMBL19463934 0.73 GAA (0.55) ADORA1BACE1GAATP53MAPT
Acetic Acid SCHEMBL19463930 0.73 GAA (0.55) ADORA1BACE1GAATP53MAPT

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
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US claimed
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US disclosed
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO 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-20100173930-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 ALOX5 3248/4885ADORA1 3063/4885BACE1 960/4885

“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.