SCHEMBL2979883

SCHEMBL2979883

Cc1cccn2c(NC3CCCCC3)c(-c3ccc(O)cc3)nc12

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.80
GAA P10253 3/20 0.63
MAPT P10636 3/20 0.63
BACE1 P56817 1/20 0.59
ADORA1 P30542 1/20 0.57
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
BRD4 O60885 1/20 0.50
USP7 Q93009 1/20 0.47

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
SCHEMBL5165713 0.87 ALOX5 (0.78) ALOX5GAAMAPTBACE1ADORA1
SCHEMBL2975663 0.84 ALOX5 (0.57) ALOX5GAAMAPTBACE1ADORA1
SCHEMBL5127843 0.83 ALOX5 (0.65) ALOX5GAAMAPTBACE1ADORA1
SCHEMBL2992223 0.82 ALOX5 (0.63) ALOX5GAAMAPTBACE1ADORA1
SCHEMBL1965930 0.80 ADORA1 (0.78) ALOX5GAAMAPTBACE1ADORA1
SCHEMBL13464312 0.80 ALOX5 (0.66) ALOX5GAAMAPTBACE1ADORA1
SCHEMBL1966263 0.80 ALOX5 (0.66) ALOX5GAAMAPTBACE1ADORA1
SCHEMBL5122721 0.79 ALOX5 (0.65) ALOX5GAAMAPTBACE1ADORA1
SCHEMBL2977837 0.79 ADORA1 (0.76) ALOX5GAAMAPTBACE1ADORA1
SCHEMBL1967579 0.79 ALOX5 (0.65) ALOX5GAAMAPTBACE1ADORA1

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 820/4885MAPT 218/4885

“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.