SCHEMBL21284664

SCHEMBL21284664

CC(C=S)c1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSP90AA1 P07900 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
BAZ2B Q9UIF8 1/20 0.32
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL294331 0.81 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2HSP90AA1LMNA
SCHEMBL13397712 0.79 KDM4E (0.34) KDM4EALDH1A1SMN1; SMN2HSP90AA1LMNA
SCHEMBL8427620 0.79 LMNA (0.37) KDM4EALDH1A1SMN1; SMN2HSP90AA1LMNA
SCHEMBL3026028 0.76
SCHEMBL681871 0.75
SCHEMBL29738290 0.75
SCHEMBL20738688 0.71
SCHEMBL20733950 0.71
SCHEMBL978914 0.71
SCHEMBL21515931 0.71

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10836755-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2020-11-17 US disclosed
US-20190256504-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2019-08-22 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-10836755-B2 Cardiac sarcomere inhibitors TNNI3, TNNT2, MYLK2 KDM4E 3210/4885ALDH1A1 3390/4885SMN1; SMN2 156/4885
US-20190256504-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 KDM4E 3210/4885ALDH1A1 3390/4885SMN1; SMN2 156/4885

“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.