Sugi Predict

Sugi Predict / Compounds / SCHEMBL18138246

SCHEMBL18138246

SCHEMBL18138246

CC(C)(C)OC(=O)Nc1n[nH]cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.41
▸ GALR2 O43603 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GSTP1 P09211 1/20 0.36
▸ GSTM2 P28161 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KCNMA1 Q12791 2/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ MMP1 P03956 1/20 0.34

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
SCHEMBL3431335 0.80 MAPT (0.43) GALR2LMNAPOLBMAPTSMN1; SMN2
SCHEMBL23152847 0.79 MAPT (0.39) GALR2LMNAPOLBMAPTSMN1; SMN2
SCHEMBL28256351 0.78 LCK (0.39) LMNAALDH1A1CYP17A1ATR
SCHEMBL21753654 0.77 L3MBTL1 (0.42) PRMT1LMNAPOLBMAPTSMN1; SMN2
SCHEMBL552157 0.76 LMNA (0.51) PRMT1LMNAPOLBMAPTSMN1; SMN2
SCHEMBL7432621 0.76 ATR (0.41) LMNAALDH1A1CYP17A1ATRMAPK1
SCHEMBL29955035 0.76 CYP17A1 (0.38) MAPTMEN1KMT2ARAB9ACYP17A1
SCHEMBL16770460 0.76 ATR (0.38) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL19026780 0.75 RAB9A (0.36) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL20557969 0.74 SMN1; SMN2 (0.55) PRMT1MAPTSMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217977-A1 DIAZEPANONE-FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. 2024-07-04 — — US disclosed
US-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2023-01-26 — — US disclosed
WO-2017106771-A1 PYRROLOPYRIMIDINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2017-06-22 — — WO disclosed
US-20170174694-A1 PYRROLOPYRIMIDINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF SOUTHERN RESEARCH INSTITUTE 2017-06-22 — — US disclosed
WO-2016164754-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-13 — — 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 (3 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-20240217977-A1 DIAZEPANONE-FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DPYD, PDXK, TYMS PRMT1 3737/4885GALR2 4356/4885LMNA 2891/4885
US-20170174694-A1 PYRROLOPYRIMIDINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF LRRK2, PRKDC, DAPK2 PRMT1 553/4885GALR2 1438/4885LMNA 2082/4885
US-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DPYD, TYMP, TYMS PRMT1 3349/4885GALR2 4793/4885LMNA 2838/4885

“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.