SCHEMBL23780472

SCHEMBL23780472

CCc1cc(NCc2ccc(-c3noc(C)n3)cc2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.42
HDAC6 Q9UBN7 7/20 0.42
HDAC1 Q13547 6/20 0.42
HDAC8 Q9BY41 5/20 0.42
CYP1A2 P05177 3/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 3/20 0.40
MAPT P10636 3/20 0.40
PLK1 P53350 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC4 P56524 2/20 0.39
AOC3 Q16853 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL23291999 0.87 MPO (0.44) MPOHDAC6HDAC1HDAC8CYP1A2
SCHEMBL23780453 0.85 PTGS2 (0.44) MPOHDAC6HDAC1HDAC8CYP1A2
SCHEMBL23780460 0.82 HDAC6 (0.42) MPOHDAC6HDAC1HDAC8CYP1A2
SCHEMBL23780445 0.82 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC4
SCHEMBL23780466 0.81 CYP1A2 (0.43) MPOHDAC6HDAC1HDAC8CYP1A2
SCHEMBL23780424 0.80 HDAC6 (0.49) MPOHDAC6HDAC1HDAC8CYP1A2
SCHEMBL23780463 0.76 CLK4 (0.52) MPOHDAC6HDAC1HDAC8CYP1A2
SCHEMBL23291888 0.76 ACACB (0.45) HDAC6HDAC1HDAC8CYP1A2POLB
SCHEMBL23780442 0.75 HDAC1 (0.69) HDAC6HDAC1HDAC8CYP1A2POLB
SCHEMBL23780452 0.74 HDAC6 (0.47) MPOHDAC6HDAC1HDAC8POLB

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 MPO 3913/4885HDAC6 233/4885HDAC1 203/4885
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 MPO 3913/4885HDAC6 233/4885HDAC1 203/4885

“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.