SCHEMBL23780423

SCHEMBL23780423

Cc1cc(-c2ccc(CNc3cnccn3)cc2)on1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 4/20 0.60
HPGD P15428 4/20 0.60
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2C9 P11712 6/20 0.50
CYP2C19 P33261 6/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2D6 P10635 3/20 0.50
CYP19A1 P11511 1/20 0.44
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 1/20 0.43
MAPT P10636 2/20 0.42
CYP3A4 P08684 4/20 0.41
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL23291904 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHDAC1HDAC8
SCHEMBL24860785 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHDAC1HDAC8
SCHEMBL23291912 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHDAC1HDAC8
SCHEMBL23780442 0.78 HDAC1 (0.69) ALDH1A1KDM4EHPGDHDAC1HDAC8
SCHEMBL4141061 0.76 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHDAC1HDAC8
SCHEMBL23292049 0.76 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHDAC1HDAC8
SCHEMBL23291952 0.75 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHDAC1HDAC8
SCHEMBL23291996 0.74 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHDAC1HDAC8
SCHEMBL24860620 0.73 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHDAC1HDAC8
SCHEMBL30172365 0.73 HDAC1 (0.60) ALDH1A1KDM4EHPGDHDAC1HDAC8

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 ALDH1A1 2682/4885KDM4E 3063/4885HPGD 3529/4885
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 ALDH1A1 2682/4885KDM4E 3063/4885HPGD 3529/4885

“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.