SCHEMBL23780463

SCHEMBL23780463

Cc1nc(-c2ccc(CNc3cc(C#N)ccn3)cc2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 7/20 0.52
DYRK1A Q13627 2/20 0.52
HDAC6 Q9UBN7 5/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
CYP1A2 P05177 5/20 0.47
CYP2C19 P33261 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP2C9 P11712 2/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
MPO P05164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 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
SCHEMBL23780407 0.84 HDAC6 (0.50) CLK4DYRK1AHDAC6HDAC1HDAC8
SCHEMBL23780460 0.83 HDAC6 (0.42) CLK4DYRK1AHDAC6HDAC1HDAC8
SCHEMBL23780455 0.80 HDAC1 (0.56) HDAC6HDAC1HDAC8MPOCTSL
SCHEMBL30172415 0.80 HDAC6 (0.45) CLK4HDAC6HDAC1HDAC8CYP1A2
SCHEMBL23780444 0.80 HDAC6 (0.45) CLK4HDAC6HDAC1HDAC8CYP1A2
SCHEMBL23780442 0.79 HDAC1 (0.69) CLK4HDAC6HDAC1HDAC8CYP1A2
SCHEMBL23291999 0.79 MPO (0.44) CLK4HDAC6HDAC1HDAC8CYP1A2
SCHEMBL23780467 0.78 CLK4 (0.50) CLK4DYRK1AHDAC6HDAC1HDAC8
SCHEMBL20489649 0.77 CLK4 (0.55) CLK4DYRK1ACYP1A2CYP2C19CYP3A4
SCHEMBL23780453 0.77 PTGS2 (0.44) CLK4DYRK1AHDAC6HDAC1HDAC8

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-12187712-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2025-01-07 US 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
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 CLK4 1617/4885DYRK1A 2672/4885HDAC6 233/4885
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 CLK4 1617/4885DYRK1A 2672/4885HDAC6 233/4885

“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.