SCHEMBL23997366

SCHEMBL23997366

NC(=O)c1sc(Br)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.44
CDC7 O00311 3/20 0.44
CDK2 P24941 3/20 0.44
PLK4 O00444 2/20 0.44
ROCK2 O75116 2/20 0.44
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
INSR P06213 2/20 0.44
CDK1 P06493 2/20 0.44
ROS1 P08922 2/20 0.44
PIM1 P11309 2/20 0.44
PRKACA P17612 2/20 0.44
FLT1 P17948 2/20 0.44
RPS6KB1 P23443 2/20 0.44
FLT4 P35916 2/20 0.44
KDR P35968 2/20 0.44
FLT3 P36888 2/20 0.44
CSNK1D P48730 2/20 0.44
CLK2 P49760 2/20 0.44
LIMK1 P53667 2/20 0.44

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
SCHEMBL154245 0.81 GPR35 (0.44) GSK3BMAPK1TSHRRXFP1ALDH1A1
SCHEMBL13277701 0.79 GSK3B (0.41) GSK3BDYRK1ARXFP1CYP3A4LMNA
SCHEMBL614133 0.77 IKBKB (0.50) GSK3BCDC7CDK2PLK4ROCK2
SCHEMBL16246374 0.77 GSK3B (0.42) GSK3BCDC7CDK2PLK4ROCK2
SCHEMBL25482100 0.75 GSK3B (0.41) GSK3BCDC7CDK2PLK4ROCK2
SCHEMBL27398499 0.75 F10 (0.41) GSK3BCDC7CDK2PLK4ROCK2
SCHEMBL8652678 0.71 DAO (0.41) GSK3BCDC7CDK2PLK4ROCK2
SCHEMBL28446279 0.71 GSK3B (0.38) GSK3BCDC7CDK2PLK4ROCK2
SCHEMBL490588 0.71 IKBKB (0.57) GSK3BIKBKBJAK2KMT2A
SCHEMBL612154 0.71 IKBKB (0.53) GSK3BPRKACALIMK1IKBKBBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12454525-B2 IL4I1 inhibitors and methods of use MERCK SHARP & DOHME LLC (US) 2025-10-28 US disclosed
CN-115836054-B IL4I1 inhibitors and methods of use 默沙东有限责任公司 2024-12-10 CN disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
CN-115836054-A IL4I1 inhibitors and methods of use 默沙东有限责任公司 2023-03-21 CN disclosed
EP-4146644-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2023-03-15 EP disclosed
WO-2021226003-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-11-11 WO disclosed
WO-2021226003-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-11-11 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 (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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 GSK3B 2766/4885CDC7 3590/4885CDK2 3597/4885
US-12454525-B2 IL4I1 inhibitors and methods of use IL4I1, IL4, IL2 GSK3B 2766/4885CDC7 3590/4885CDK2 3597/4885

“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.