SCHEMBL2990108

SCHEMBL2990108

Cc1ccn2c(NCCN3CCN(C)CC3)c(-c3ccccc3O)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.59
MAPT P10636 5/20 0.59
NR1H4 Q96RI1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
ADRA1B P35368 1/20 0.44
SALL4 Q9UJQ4 2/20 0.44
SLC2A1 P11166 1/20 0.43
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
TRIM33 Q9UPN9 3/20 0.42
TRIM24 O15164 1/20 0.42

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
SCHEMBL2989801 0.92 GAA (0.59) GAAMAPTNR1H4SMN1; SMN2KDM4E
SCHEMBL2986384 0.90 MAPT (0.57) GAAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2988779 0.83 GAA (0.56) GAAMAPTNR1H4SMN1; SMN2KDM4E
SCHEMBL2992236 0.81 GAA (0.63) GAAMAPTNR1H4SMN1; SMN2KDM4E
SCHEMBL2989961 0.80 GAA (0.67) GAAMAPTNR1H4SMN1; SMN2KDM4E
SCHEMBL2993469 0.80 GAA (0.67) GAAMAPTNR1H4SMN1; SMN2KDM4E
SCHEMBL2992275 0.80 GAA (0.61) GAAMAPTNR1H4SMN1; SMN2KDM4E
SCHEMBL2989981 0.78 GAA (0.64) GAAMAPTNR1H4SMN1; SMN2KDM4E
SCHEMBL2988133 0.78 MAPT (0.64) GAAMAPTNR1H4SMN1; SMN2KDM4E
SCHEMBL2989983 0.78 GAA (0.64) GAAMAPTNR1H4SMN1; SMN2KDM4E

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 218/4885NR1H4 4747/4885

“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.