SCHEMBL23780412

SCHEMBL23780412

Brc1ccc(CNc2cnccn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
KDM4E B2RXH2 7/20 0.71
HPGD P15428 4/20 0.71
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CXCR4 P61073 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
MAPK1 P28482 1/20 0.46
FABP1 P07148 1/20 0.43
FABP6 P51161 1/20 0.43
AGER Q15109 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL3952458 0.84 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3956196 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4141061 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL14075916 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3949028 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3953451 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL23291882 0.79 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL29999485 0.79 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL23291965 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL28634064 0.77 CXCR4 (0.82) ALDH1A1KDM4EHPGDMEN1KMT2A

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 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.