SCHEMBL25339663

SCHEMBL25339663

COc1cc(I)c(OC(N)=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 5/20 0.47
▸ SIRT6 Q8N6T7 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ BPTF Q12830 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ P2RX3 P56373 3/20 0.34
▸ P2RX2 Q9UBL9 3/20 0.34
▸ POLB P06746 2/20 0.33
▸ KLK3 P07288 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL21830618 0.77 NNMT (0.47) NNMTSIRT6MKNK1MKNK2MEN1
SCHEMBL28328451 0.77 SIRT6 (0.38) NNMTSIRT6MEN1KMT2ASMN1; SMN2
SCHEMBL16115684 0.73 MEN1 (0.37) NNMTBPTFMEN1PABPC1KMT2A
SCHEMBL9572460 0.72 MEN1 (0.36) NNMTSIRT6MKNK1MKNK2MEN1
SCHEMBL17541475 0.71 TUBB4A (0.34) NNMTP2RX3P2RX2
SCHEMBL17131059 0.71 NNMT (0.51) NNMTSIRT6MEN1PABPC1KMT2A
SCHEMBL16114745 0.71 P2RX3 (0.37) NNMTP2RX3P2RX2
SCHEMBL28966263 0.71 MAPT (0.45) NNMTSIRT6MEN1KMT2APOLB
SCHEMBL28892575 0.71 NNMT (0.41) NNMTSIRT6SMN1; SMN2GAAALDH1A1
SCHEMBL16936117 0.71 DYRK1A (0.35) NNMTSIRT6MKNK1MKNK2BPTF

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
CN-117730083-A Pyrimidine compounds as MAP4K1 inhibitors 格兰马克专业公司 2024-03-19 — — CN disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 — — 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 (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-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 NNMT 308/4885SIRT6 1339/4885MKNK1 43/4885

“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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