SCHEMBL2989983

SCHEMBL2989983

Cc1ccn2c(NCc3ccccc3C)c(-c3ccccc3O)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.64
MAPT P10636 9/20 0.64
SMN1; SMN2 Q16637 6/20 0.48
TP53 P04637 5/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 3/20 0.48
PKM P14618 1/20 0.48
PKLR P30613 1/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL2986734 0.89 GAA (0.62) GAAMAPTSMN1; SMN2TP53KDM4E
SCHEMBL2983962 0.89 MAPT (0.62) GAAMAPTSMN1; SMN2TP53KDM4E
SCHEMBL2979906 0.87 GAA (0.60) GAAMAPTSMN1; SMN2TP53KDM4E
SCHEMBL2989961 0.86 GAA (0.67) GAAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2992363 0.85 GAA (0.72) GAAMAPTSMN1; SMN2TP53KDM4E
SCHEMBL2989981 0.84 GAA (0.64) GAAMAPTSMN1; SMN2TP53KDM4E
SCHEMBL2986712 0.84 GAA (0.59) GAAMAPTSMN1; SMN2TP53KDM4E
SCHEMBL2982183 0.83 GAA (0.62) GAAMAPTSMN1; SMN2TP53KDM4E
SCHEMBL2987674 0.83 GAA (0.62) GAAMAPTSMN1; SMN2TP53KDM4E
SCHEMBL2988133 0.82 MAPT (0.64) GAAMAPTSMN1; SMN2TP53KDM4E

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 218/4885SMN1; SMN2 46/4885

“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.