SCHEMBL2990796

SCHEMBL2990796

CCc1ccn2c(NC3CCCC3)c(-c3ccc(O)cc3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.62
ALDH1A1 P00352 7/20 0.57
GAA P10253 5/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
GFER P55789 3/20 0.57
ADORA1 P30542 1/20 0.53
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TLR9 Q9NR96 1/20 0.52
ATM Q13315 1/20 0.49
HPGD P15428 1/20 0.49
CREBBP Q92793 1/20 0.48
BACE1 P56817 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL2985882 0.85 ALOX5 (0.84) ALOX5ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL5131813 0.83 ALOX5 (0.60) ALOX5ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2988782 0.83 ALOX5 (0.74) ALOX5ALDH1A1GAAADORA1HTT
SCHEMBL2990852 0.80 ALOX5 (0.59) ALOX5ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL5123249 0.79 ALDH1A1 (0.52) ALOX5ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2977837 0.79 ADORA1 (0.76) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL1965930 0.78 ADORA1 (0.78) ALOX5ALDH1A1GAAMAPTGFER
SCHEMBL5118558 0.77 ALOX5 (0.48) ALOX5ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2977613 0.77 ALOX5 (1.00) ALOX5ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL20889277 0.76 ALOX5 (0.79) ALOX5ALDH1A1GAAMAPTSMN1; SMN2

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 3248/4885ALDH1A1 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.