SCHEMBL2977837

SCHEMBL2977837

Oc1ccc(-c2nc3ccccn3c2NC2CCCC2)cc1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.76
ALOX5 P09917 5/20 0.67
BRD4 O60885 1/20 0.65
TRIM33 Q9UPN9 3/20 0.64
ALDH1A1 P00352 3/20 0.63
GAA P10253 2/20 0.63
MAPT P10636 1/20 0.63
MAPK1 P28482 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ROCK2 O75116 1/20 0.63
PIM1 P11309 1/20 0.63
GSK3B P49841 1/20 0.63
AURKB Q96GD4 1/20 0.63
SALL4 Q9UJQ4 2/20 0.62
KDM4E B2RXH2 2/20 0.61
GFER P55789 1/20 0.61
TRIM24 O15164 2/20 0.57
BACE1 P56817 1/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL1965930 0.99 ADORA1 (0.78) ADORA1ALOX5BRD4TRIM33ALDH1A1
SCHEMBL2986663 0.90 ADORA1 (0.79) ADORA1ALOX5BRD4TRIM33ALDH1A1
SCHEMBL7975156 0.88 ADORA1 (0.81) ADORA1ALOX5BRD4TRIM33ALDH1A1
SCHEMBL1965379 0.88 ADORA1 (0.76) ADORA1ALOX5BRD4TRIM33ALDH1A1
SCHEMBL15152579 0.88 ADORA1 (0.76) ADORA1ALOX5BRD4TRIM33ALDH1A1
SCHEMBL1965351 0.88 ADORA1 (0.76) ADORA1ALOX5BRD4TRIM33ALDH1A1
SCHEMBL1965852 0.86 ADORA1 (0.78) ADORA1ALOX5BRD4TRIM33ALDH1A1
SCHEMBL1967978 0.86 ADORA1 (0.78) ADORA1ALOX5BRD4TRIM33ALDH1A1
SCHEMBL2977991 0.86 ADORA1 (1.00) ADORA1ALOX5BRD4TRIM33ALDH1A1
SCHEMBL15152601 0.86 ADORA1 (0.78) ADORA1ALOX5BRD4TRIM33ALDH1A1

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 ADORA1 3063/4885ALOX5 3248/4885BRD4 3847/4885

“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.