SCHEMBL2987909

SCHEMBL2987909

N#Cc1ccc2nc(-c3ccc(O)cc3)c(NC3CCCC3)n2c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.69
GAA P10253 4/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 2/20 0.53
EPHX2 P34913 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADORA1 P30542 1/20 0.48
TRIM24 O15164 1/20 0.48

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
SCHEMBL2990852 0.83 ALOX5 (0.59) ALOX5GAAHTTALDH1A1KDM4E
SCHEMBL2982978 0.83 ALOX5 (0.73) ALOX5GAAHTTALDH1A1EPHX2
SCHEMBL2982793 0.83 ALOX5 (0.98) ALOX5GAAHTTALDH1A1EPHX2
SCHEMBL2989990 0.82 ALOX5 (0.72) ALOX5GAAHTTALDH1A1ADORA1
SCHEMBL2986701 0.82 ALOX5 (1.00) ALOX5GAAHTTALDH1A1EPHX2
SCHEMBL2990310 0.82 ALOX5 (1.00) ALOX5GAAHTTALDH1A1EPHX2
SCHEMBL2988782 0.79 ALOX5 (0.74) ALOX5GAAHTTALDH1A1EPHX2
SCHEMBL13464236 0.79 ADORA1 (0.73) ALOX5GAAALDH1A1KDM4EADORA1
SCHEMBL2977837 0.78 ADORA1 (0.76) ALOX5GAAALDH1A1KDM4EADORA1
SCHEMBL13464369 0.78 ALOX5 (0.55) ALOX5GAAHTTALDH1A1ADORA1

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 4 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
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO 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 3248/4885GAA 820/4885HTT 374/4885

“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.