SCHEMBL23780469

SCHEMBL23780469

C[C@@H](Nc1cnccn1)c1ccc(-c2noc(C(F)F)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.49
HDAC1 Q13547 9/20 0.49
HDAC4 P56524 9/20 0.49
HDAC8 Q9BY41 2/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
GPR55 Q9Y2T6 4/20 0.42
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 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
SCHEMBL23780471 1.00 HDAC6 (0.49) HDAC6HDAC1HDAC4HDAC8JAK2
SCHEMBL23780474 0.91 HDAC1 (0.48) HDAC6HDAC1HDAC4HDAC8JAK2
SCHEMBL23780473 0.91 HDAC1 (0.48) HDAC6HDAC1HDAC4HDAC8JAK2
SCHEMBL23780434 0.86 HDAC1 (0.48) HDAC6HDAC1HDAC4HDAC8JAK2
SCHEMBL23780432 0.86 HDAC1 (0.48) HDAC6HDAC1HDAC4HDAC8JAK2
SCHEMBL23780435 0.84 HDAC6 (0.70) HDAC6HDAC1HDAC4HDAC8
SCHEMBL23780433 0.84 HDAC6 (0.70) HDAC6HDAC1HDAC4HDAC8
SCHEMBL23780417 0.83 HDAC6 (0.56) HDAC6HDAC1HDAC4HDAC8JAK2
SCHEMBL23780427 0.83 SMN1; SMN2 (0.51) HDAC6HDAC1HDAC4GPR55S1PR1
SCHEMBL23780418 0.83 HDAC6 (0.56) HDAC6HDAC1HDAC4HDAC8JAK2

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 HDAC6 233/4885HDAC1 203/4885HDAC4 771/4885
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 HDAC6 233/4885HDAC1 203/4885HDAC4 771/4885

“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.