SCHEMBL2978006

SCHEMBL2978006

COc1cccc2nc(O)c(-c3nc4cc(C)ccn4c3NCc3cccc(Cl)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 3/20 0.44
NR1H4 Q96RI1 3/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALK Q9UM73 1/20 0.41
HPGD P15428 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40

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
SCHEMBL5127472 0.87 ATM (0.47) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2986422 0.84 NR1H4 (0.47) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2989780 0.81 MAPT (0.51) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2984337 0.80 MAPT (0.51) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2986401 0.79 MAPT (0.60) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2992215 0.79 ALDH1A1 (0.51) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2989095 0.74 MAPT (0.48) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2986387 0.74 PLAU (0.50) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2979715 0.72 GAA (0.58) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2990971 0.72 MAPT (0.57) MAPTGAAALDH1A1SMN1; SMN2RAB9A

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 3 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
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 820/4885ALDH1A1 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.