SCHEMBL25399497

SCHEMBL25399497

C[C@@H](N)COc1ccnc2ccc(N)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ SCN4A P35499 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SCN1A P35498 2/20 0.36
▸ SCN5A Q14524 2/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ HTR2A P28223 2/20 0.36

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
SCHEMBL25399501 1.00 ALDH1A1 (0.44) ALDH1A1GAATSHRKDM4ETP53
SCHEMBL25398117 0.82 AAK1 (0.36) ALDH1A1GAAIRAK4
SCHEMBL25398121 0.82 AAK1 (0.36) ALDH1A1GAAIRAK4
SCHEMBL24010756 0.80 DOT1L (0.48) ALDH1A1GAATSHRKDM4ETP53
SCHEMBL25394462 0.79 SCN4A (0.41) ALDH1A1GAATSHRSCN4ALMNA
SCHEMBL25398255 0.79 ALDH1A1 (0.42) ALDH1A1GAATSHRSCN4ALMNA
SCHEMBL25394459 0.79 SCN4A (0.41) ALDH1A1GAATSHRSCN4ALMNA
SCHEMBL25398262 0.79 ALDH1A1 (0.42) ALDH1A1GAATSHRSCN4ALMNA
SCHEMBL25835223 0.78 MCHR1 (0.38) ALDH1A1TSHRKDM4ETP53HSP90AA1
SCHEMBL4524906 0.74 NR3C1 (0.52) TSHRKDM4EMAPTSCN4ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250213571-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2025-07-03 — — US disclosed
EP-4493562-A1 TYK2 INHIBITORS AND USES THEREOF Alumis Inc. (US) 2025-01-22 — — EP disclosed
WO-2023178235-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. (US) 2023-09-21 — — WO disclosed
WO-2023178235-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. (US) 2023-09-21 — — WO 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-20250213571-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 ALDH1A1 4098/4885GAA 3318/4885TSHR 625/4885

“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.

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