SCHEMBL22425762

SCHEMBL22425762

Cc1cc(NC(=O)OC(C)(C)C)c(I)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.40
BRD9 Q9H8M2 1/20 0.39
DGAT1 O75907 2/20 0.38
METAP1 P53582 1/20 0.38
MAP4K4 O95819 1/20 0.38
AAK1 Q2M2I8 3/20 0.36
ATR Q13535 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LCK P06239 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 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
SCHEMBL12097975 0.88 BRD9 (0.39) MAPKAPK2BRD9DGAT1METAP1AAK1
SCHEMBL15584205 0.85 ATR (0.42) MAPKAPK2BRD9METAP1MAP4K4AAK1
SCHEMBL17592970 0.85 AAK1 (0.40) MAPKAPK2BRD9DGAT1METAP1AAK1
SCHEMBL14923617 0.82 CYP17A1 (0.43) MAPKAPK2BRD9DGAT1METAP1AAK1
SCHEMBL29956827 0.81 ATR (0.39) MAPKAPK2BRD9DGAT1METAP1MAP4K4
SCHEMBL29955405 0.81 BRD9 (0.38) MAPKAPK2BRD9DGAT1METAP1AAK1
SCHEMBL18624699 0.81 ALDH1A1 (0.40) BRD9DGAT1AAK1ATR
SCHEMBL10330552 0.81 ATR (0.41) MAPKAPK2BRD9DGAT1METAP1MAP4K4
SCHEMBL20320534 0.78 LMNA (0.45) MAPKAPK2BRD9DGAT1METAP1AAK1
SCHEMBL2772617 0.77 ATR (0.49) MAPKAPK2BRD9DGAT1METAP1AAK1

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-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 US disclosed
WO-2020185755-A1 TYK2 INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-17 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-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 MAPKAPK2 60/4885BRD9 420/4885DGAT1 2950/4885

“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.