SCHEMBL23780441

SCHEMBL23780441

CC(Nc1cnccn1)c1ccc(-c2noc(C3CCC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
GAA P10253 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 2/20 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
SCHEMBL23780440 1.00 PPARA (0.49) PPARACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23780422 0.96 PPARA (0.46) PPARACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23780420 0.96 PPARA (0.46) PPARACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23780473 0.81 HDAC1 (0.48) RAB9ANPC1HDAC4HDAC1HDAC6
SCHEMBL23780434 0.81 HDAC1 (0.48) L3MBTL1HDAC4HDAC1HDAC6MAOA
SCHEMBL23780432 0.81 HDAC1 (0.48) L3MBTL1HDAC4HDAC1HDAC6MAOA
SCHEMBL23780474 0.81 HDAC1 (0.48) RAB9ANPC1HDAC4HDAC1HDAC6
SCHEMBL23780471 0.79 HDAC6 (0.49) HDAC4HDAC1HDAC6JAK2JAK1
SCHEMBL23780469 0.79 HDAC6 (0.49) HDAC4HDAC1HDAC6JAK2JAK1
SCHEMBL23780427 0.78 SMN1; SMN2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 4371/4885CYP1A2 3409/4885CYP3A4 4508/4885

“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.