SCHEMBL23780466

SCHEMBL23780466

Cc1nc(-c2ccc(CNc3cc(C4CC4)ncn3)cc2)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.43
TSHR P16473 2/20 0.43
MPO P05164 1/20 0.40
CLK4 Q9HAZ1 5/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC8 Q9BY41 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 3/20 0.40
LMNA P02545 2/20 0.40
DYRK1A Q13627 1/20 0.39
MAPK14 Q16539 2/20 0.39
SMYD3 Q9H7B4 1/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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 0.84 MPO (0.44) CYP1A2TSHRMPOCLK4HDAC1
SCHEMBL23780453 0.82 PTGS2 (0.44) CYP1A2TSHRMPOCLK4HDAC1
SCHEMBL23780472 0.81 MPO (0.42) CYP1A2TSHRMPOCLK4HDAC1
SCHEMBL23780460 0.79 HDAC6 (0.42) CYP1A2TSHRMPOCLK4HDAC1
SCHEMBL23780445 0.79 HDAC6 (0.50) HDAC1HDAC6HDAC8HDAC4
SCHEMBL23780424 0.77 HDAC6 (0.49) CYP1A2TSHRMPOCLK4HDAC1
SCHEMBL23780463 0.73 CLK4 (0.52) CYP1A2TSHRMPOCLK4HDAC1
SCHEMBL23780442 0.72 HDAC1 (0.69) CYP1A2CLK4HDAC1HDAC6HDAC8
SCHEMBL23780452 0.71 HDAC6 (0.47) MPOCLK4HDAC1HDAC6HDAC8
SCHEMBL23780467 0.71 CLK4 (0.50) CYP1A2TSHRMPOCLK4HDAC1

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 5 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
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 CYP1A2 3409/4885TSHR 2795/4885MPO 3913/4885
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 CYP1A2 3409/4885TSHR 2795/4885MPO 3913/4885

“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.