SCHEMBL27163045

SCHEMBL27163045

ClCc1ccc(-n2ccnn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.51
CYP19A1 P11511 1/20 0.45
KEAP1 Q14145 1/20 0.39
KCNH2 Q12809 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
BRS3 P32247 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
SCHEMBL27163797 0.93 NOTUM (0.45) NOTUMCYP19A1KEAP1KCNH2GPR119
SCHEMBL27163355 0.83 NOTUM (0.47) NOTUMCYP19A1KEAP1KCNH2GPR119
SCHEMBL30046185 0.83 NOTUM (0.47) NOTUMCYP19A1KEAP1KCNH2GPR119
SCHEMBL21753379 0.77 NOTUM (0.51) NOTUMBRS3
SCHEMBL20300553 0.75 NOTUM (0.63) NOTUMCYP19A1KEAP1BRS3
SCHEMBL1163413 0.74 NOTUM (0.61) NOTUMCYP19A1KEAP1BRS3
SCHEMBL20409464 0.74 NOTUM (0.61) NOTUMCYP19A1KEAP1KCNH2GPR119
SCHEMBL1188176 0.74 NOTUM (0.52) NOTUMCYP19A1KEAP1BRS3
SCHEMBL10447781 0.73 NOTUM (0.78) NOTUMCYP19A1KEAP1BRS3
SCHEMBL27163150 0.72 CHRM1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 US disclosed
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
WO-2022232333-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 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-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 NOTUM 3162/4885CYP19A1 783/4885KEAP1 1644/4885

“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.