SCHEMBL2990852

SCHEMBL2990852

N#Cc1ccn2c(NC3CCCC3)c(-c3ccc(O)cc3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.59
ALDH1A1 P00352 7/20 0.54
GAA P10253 7/20 0.54
MAPT P10636 6/20 0.54
GFER P55789 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ADORA1 P30542 1/20 0.50
KDM4E B2RXH2 5/20 0.49
MAPK1 P28482 2/20 0.49
HPGD P15428 1/20 0.49
CREBBP Q92793 1/20 0.46
HTT P42858 4/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TLR9 Q9NR96 1/20 0.45

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
SCHEMBL2987909 0.83 ALOX5 (0.69) ALOX5ALDH1A1GAASMN1; SMN2ADORA1
SCHEMBL2985882 0.83 ALOX5 (0.84) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL19423845 0.82 ADORA1 (0.45) ALOX5ALDH1A1GAAMAPTADORA1
SCHEMBL2990796 0.80 ALOX5 (0.62) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL2977837 0.79 ADORA1 (0.76) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL1965930 0.78 ADORA1 (0.78) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL13464236 0.78 ADORA1 (0.73) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL20889277 0.76 ALOX5 (0.79) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL20889687 0.76 ALOX5 (0.74) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL13464225 0.75 ADORA1 (0.63) ALOX5ALDH1A1GAAMAPTGFER

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 3248/4885ALDH1A1 3165/4885GAA 820/4885

“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.