SCHEMBL24434809

SCHEMBL24434809

O=C(Nc1nc([C@H]2CCN(Cc3ccccc3)C2)cs1)c1cccn1Cc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.49
SIGMAR1 Q99720 1/20 0.43
SCN3A Q9NY46 2/20 0.42
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
KDM1A O60341 1/20 0.40
PRKACA P17612 1/20 0.39
TMIGD3 P0DMS9 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL24435174 1.00 ROCK1 (0.49) ROCK1SIGMAR1SCN3AMMP2MMP8
SCHEMBL24435404 0.96 ROCK1 (0.46) ROCK1SIGMAR1SCN3AMMP2MMP8
SCHEMBL24434863 0.90 ROCK1 (0.40) ROCK1SCN3AMMP2MMP8KDM4E
SCHEMBL24434649 0.90 ROCK1 (0.40) ROCK1SCN3AMMP2MMP8KDM4E
SCHEMBL24434786 0.88 ADORA1 (0.47) ROCK1SCN3AKDM4ESMN1; SMN2HTT
SCHEMBL24435188 0.88 TMIGD3 (0.41) ROCK1SCN3AMMP2MMP8KDM4E
SCHEMBL24435183 0.87 ADORA1 (0.45) ROCK1SCN3AKDM4ESMN1; SMN2HTT
SCHEMBL24434676 0.87 BTK (0.43) ROCK1SCN3AMMP2MMP8KDM4E
SCHEMBL24435045 0.86 TMIGD3 (0.43) ROCK1SCN3AKDM4ESMN1; SMN2HTT
SCHEMBL24435193 0.86 SCN3A (0.42) ROCK1SCN3AMMP2MMP8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 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-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G ROCK1 2147/4885SIGMAR1 3889/4885SCN3A 1699/4885

“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.