SCHEMBL23780427

SCHEMBL23780427

CC(Nc1cnccn1)c1ccc(-c2noc(-c3ccccc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
TP53 P04637 4/20 0.51
MAPT P10636 3/20 0.51
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 4/20 0.50
NFKB2 Q00653 4/20 0.50
RELA Q04206 4/20 0.50
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
POLB P06746 1/20 0.48
NR1H4 Q96RI1 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL23780425 1.00 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL23780456 0.85 NPC1 (0.53) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL23780451 0.85 PPARA (0.52) NPC1RAB9AHDAC4HDAC1HDAC6
SCHEMBL23780458 0.85 NPC1 (0.53) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL23780450 0.85 PPARA (0.52) NPC1RAB9AHDAC4HDAC1HDAC6
SCHEMBL23780432 0.85 HDAC1 (0.48) HDAC4HDAC1HDAC6POLBGPR55
SCHEMBL23780474 0.85 HDAC1 (0.48) NPC1RAB9AALDH1A1HDAC4HDAC1
SCHEMBL23780434 0.85 HDAC1 (0.48) HDAC4HDAC1HDAC6POLBGPR55
SCHEMBL23780473 0.85 HDAC1 (0.48) NPC1RAB9AALDH1A1HDAC4HDAC1
SCHEMBL23780438 0.84 NPC1 (0.55) SMN1; SMN2NPC1RAB9ATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP claimed
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 (1 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-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 SMN1; SMN2 74/4885NPC1 3250/4885RAB9A 1144/4885

“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.