SCHEMBL2987674

SCHEMBL2987674

Cc1ccn2c(NCc3ccc(Cl)cc3)c(-c3ccccc3O)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.62
MAPT P10636 5/20 0.62
SIRT1 Q96EB6 1/20 0.55
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NR1H4 Q96RI1 5/20 0.50
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.48
PKM P14618 1/20 0.47
PKLR P30613 1/20 0.47
ATM Q13315 3/20 0.45
PLAU P00749 1/20 0.45
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 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
SCHEMBL2992363 0.92 GAA (0.72) GAAMAPTSIRT1KDM4EALDH1A1
SCHEMBL2989961 0.91 GAA (0.67) GAAMAPTKDM4EALDH1A1NPC1
SCHEMBL2986401 0.90 MAPT (0.60) GAAMAPTSIRT1KDM4EALDH1A1
SCHEMBL2982183 0.89 GAA (0.62) GAAMAPTSIRT1KDM4EALDH1A1
SCHEMBL2979685 0.88 GAA (0.60) GAAMAPTKDM4EALDH1A1NPC1
SCHEMBL2989981 0.87 GAA (0.64) GAAMAPTSIRT1KDM4EALDH1A1
SCHEMBL2983962 0.85 MAPT (0.62) GAAMAPTSIRT1KDM4EALDH1A1
SCHEMBL2984337 0.84 MAPT (0.51) GAAMAPTSIRT1KDM4EALDH1A1
SCHEMBL2979602 0.83 GAA (0.60) GAAMAPTSIRT1KDM4EALDH1A1
SCHEMBL2988829 0.83 GAA (0.60) GAAMAPTKDM4EALDH1A1NPC1

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 218/4885SIRT1 2093/4885

“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.