SCHEMBL29991111

SCHEMBL29991111

Cc1cccc(Cc2cscn2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.46
LTA4H P09960 2/20 0.43
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
IDO1 P14902 2/20 0.40
SLC6A3 Q01959 1/20 0.39
DAO P14920 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL1724614 0.74 FYN (0.45) FYNKCNH2
SCHEMBL30000562 0.73 TAAR1 (0.60) LTA4HTAAR1IDO1DAOMAOB
SCHEMBL29459538 0.73 TAAR1 (0.60) LTA4HTAAR1IDO1DAOMAOB
SCHEMBL1263547 0.73 TAAR1 (0.60) LTA4HTAAR1IDO1DAOMAOB
SCHEMBL10597194 0.73 GRM5 (0.38) FYNLTA4HTAAR1IDO1MAOB
SCHEMBL21142106 0.72 CYP2C19 (0.60) FYNTAAR1CYP2D6CYP2C9CYP2C19
SCHEMBL30638836 0.72 CYP2C19 (0.60) FYNTAAR1CYP2D6CYP2C9CYP2C19
SCHEMBL28179638 0.70 LTA4H (0.47) LTA4HTAAR1IDO1DAO
SCHEMBL20313307 0.70 TAAR1 (0.44) FYNLTA4HTAAR1IDO1DAO
SCHEMBL12848465 0.70 TAAR1 (0.41) FYNLTA4HTAAR1IDO1DAO

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-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
US-20220331316-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2022-10-20 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-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 FYN 1596/4885LTA4H 2284/4885KCNH2 4739/4885
US-20220331316-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 FYN 1596/4885LTA4H 2284/4885KCNH2 4739/4885

“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.