SCHEMBL2986384

SCHEMBL2986384

Cc1ccn2c(NCCN3CCOCC3)c(-c3ccccc3O)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
GAA P10253 3/20 0.57
SALL4 Q9UJQ4 2/20 0.55
ADRA1B P35368 1/20 0.55
TRIM33 Q9UPN9 6/20 0.54
TRIM24 O15164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.51
HIF1A Q16665 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
PTK2B Q14289 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46
IDO1 P14902 1/20 0.45
CYP1A2 P05177 2/20 0.43

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 0.90 GAA (0.59) MAPTGAASALL4ADRA1BTRIM33
SCHEMBL2990108 0.90 GAA (0.59) MAPTGAASALL4ADRA1BTRIM33
SCHEMBL2995197 0.83 MAPT (0.55) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14022619 0.80 TRIM33 (0.51) MAPTGAASALL4ADRA1BTRIM33
SCHEMBL2992236 0.80 GAA (0.63) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14022633 0.79 TRIM33 (0.54) MAPTGAASALL4ADRA1BTRIM33
SCHEMBL2989961 0.78 GAA (0.67) MAPTGAASALL4SMN1; SMN2ALDH1A1
SCHEMBL2993469 0.78 GAA (0.67) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2992275 0.78 GAA (0.61) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2989981 0.77 GAA (0.64) MAPTGAASMN1; SMN2ALDH1A1KDM4E

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 MAPT 218/4885GAA 820/4885SALL4 4045/4885

“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.