SCHEMBL23780451

SCHEMBL23780451

CC(Nc1cnccn1)c1ccc(-c2noc(-c3ccsc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.52
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
HDAC1 Q13547 5/20 0.43
HDAC6 Q9UBN7 5/20 0.43
HDAC4 P56524 4/20 0.43
POLB P06746 2/20 0.41
S1PR1 P21453 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL23780450 1.00 PPARA (0.52) PPARACA2CA9CA12CA1
SCHEMBL23780427 0.85 SMN1; SMN2 (0.51) HDAC1HDAC6HDAC4POLBS1PR1
SCHEMBL23780425 0.85 SMN1; SMN2 (0.51) HDAC1HDAC6HDAC4POLBS1PR1
SCHEMBL23780437 0.82 NPC1 (0.55) CA2CA9CA12CA1HDAC1
SCHEMBL23780438 0.82 NPC1 (0.55) CA2CA9CA12CA1HDAC1
SCHEMBL23780409 0.81 HDAC1 (0.45) HDAC1HDAC6HDAC4POLBNPC1
SCHEMBL23780474 0.81 HDAC1 (0.48) HDAC1HDAC6HDAC4POLBS1PR1
SCHEMBL23780434 0.81 HDAC1 (0.48) CA2CA9CA12CA1HDAC1
SCHEMBL23780432 0.81 HDAC1 (0.48) CA2CA9CA12CA1HDAC1
SCHEMBL23780473 0.81 HDAC1 (0.48) HDAC1HDAC6HDAC4POLBS1PR1

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
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP claimed
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP disclosed
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2021-09-09 US 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-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 PPARA 4371/4885CA2 873/4885CA9 4478/4885

“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.