SCHEMBL2992223

SCHEMBL2992223

Cc1cccn2c(NC3CCCC3)c(-c3ccccc3O)nc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.63
BACE1 P56817 1/20 0.54
GAA P10253 7/20 0.47
MAPT P10636 7/20 0.47
ADORA1 P30542 1/20 0.47
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SALL4 Q9UJQ4 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL5127843 0.99 ALOX5 (0.65) ALOX5BACE1GAAMAPTADORA1
SCHEMBL1970170 0.86 ALOX5 (0.63) ALOX5BACE1GAAMAPTADORA1
SCHEMBL1967579 0.85 ALOX5 (0.65) ALOX5BACE1GAAMAPTADORA1
SCHEMBL5168420 0.84 ALOX5 (0.66) ALOX5BACE1MAPTADORA1MEN1
SCHEMBL2979883 0.82 ALOX5 (0.80) ALOX5BACE1GAAMAPTADORA1
SCHEMBL2986458 0.81 ALOX5 (0.70) ALOX5BACE1GAAMAPTADORA1
SCHEMBL1965729 0.80 ALOX5 (0.72) ALOX5BACE1GAAMAPTADORA1
SCHEMBL2984312 0.79 ALOX5 (0.70) ALOX5BACE1GAAMAPTADORA1
SCHEMBL5165713 0.78 ALOX5 (0.78) ALOX5BACE1GAAMAPTADORA1
SCHEMBL8188874 0.77 ALOX5 (0.52) ALOX5BACE1GAAMAPTADORA1

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 3248/4885BACE1 960/4885GAA 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.