SCHEMBL2979685

SCHEMBL2979685

COc1ccc(CNc2c(-c3ccccc3O)nc3cc(C)ccn23)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.60
MAPT P10636 7/20 0.60
ALDH1A1 P00352 4/20 0.57
RAB9A P51151 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 2/20 0.53
POLB P06746 1/20 0.53
NR1H4 Q96RI1 3/20 0.52
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
ATM Q13315 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
SCHEMBL2992363 0.91 GAA (0.72) GAAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL2979715 0.90 GAA (0.58) GAAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL2989961 0.89 GAA (0.67) GAAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL2987674 0.88 GAA (0.62) GAAMAPTALDH1A1RAB9AMAPK1
SCHEMBL2982183 0.88 GAA (0.62) GAAMAPTALDH1A1RAB9AMAPK1
SCHEMBL2989981 0.85 GAA (0.64) GAAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL2979906 0.84 GAA (0.60) GAAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL2989780 0.82 MAPT (0.51) GAAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL2979602 0.82 GAA (0.60) GAAMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL2986401 0.82 MAPT (0.60) GAAMAPTALDH1A1RAB9AL3MBTL1

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 GAA 820/4885MAPT 218/4885ALDH1A1 3165/4885

“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.