SCHEMBL23780419

SCHEMBL23780419

c1cnc(NCc2ccc(-c3noc(C4CCC4)n3)cc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.62
HDAC6 Q9UBN7 4/20 0.62
HDAC8 Q9BY41 3/20 0.62
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
PPARA Q07869 1/20 0.51
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 4/20 0.47
SPHK1 Q9NYA1 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL23291979 0.96 HDAC1 (0.64) HDAC1HDAC6HDAC8CYP1A2CYP2D6
SCHEMBL23780442 0.79 HDAC1 (0.69) HDAC1HDAC6HDAC8CYP1A2CYP2D6
SCHEMBL23780428 0.79 HDAC1 (0.48) HDAC1HDAC6HDAC8CYP1A2CYP2D6
SCHEMBL23780440 0.79 PPARA (0.49) HDAC1HDAC6CYP1A2CYP2D6CYP2C9
SCHEMBL23780441 0.79 PPARA (0.49) HDAC1HDAC6CYP1A2CYP2D6CYP2C9
SCHEMBL23780446 0.77 HDAC6 (0.70) HDAC1HDAC6HDAC8CYP1A2CYP2D6
SCHEMBL23780447 0.77 HDAC6 (0.70) HDAC1HDAC6HDAC8CYP1A2CYP2D6
SCHEMBL19745104 0.76 HDAC6 (1.00) HDAC1HDAC6HDAC8HDAC4
SCHEMBL23780422 0.74 PPARA (0.46) HDAC1HDAC6HDAC8CYP1A2CYP2D6
SCHEMBL23780420 0.74 PPARA (0.46) HDAC1HDAC6HDAC8CYP1A2CYP2D6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187712-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2025-01-07 US claimed
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP claimed
US-12187712-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2025-01-07 US disclosed
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP disclosed
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
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 (2 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-12187712-B2 Cardiac sarcomere inhibitors TNNI3, TNNT2, MYLK2 HDAC1 203/4885HDAC6 233/4885HDAC8 647/4885
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 HDAC1 203/4885HDAC6 233/4885HDAC8 647/4885

“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.