Sugi Predict

Sugi Predict / Compounds / SCHEMBL17276019

SCHEMBL17276019

SCHEMBL17276019

Nc1nc2c(Br)cccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 3/20 0.51
▸ MASP2 O00187 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ AOC3 Q16853 1/20 0.48
▸ MMP12 P39900 5/20 0.46
▸ PIM1 P11309 2/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ CDK5 Q00535 6/20 0.45
▸ CDK5R1 Q15078 6/20 0.45
▸ ULK1 O75385 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ CAMK2G Q13555 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ RPS6KA1 Q15418 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.42
▸ MAP3K19 Q56UN5 1/20 0.42

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
SCHEMBL30291834 0.79 MEN1 (0.58) NUDT1MASP2MEN1ALDH1A1KMT2A
SCHEMBL248854 0.79 NOS1 (0.39) MEN1KMT2ABACE1CSNK2A2CSNK2B
SCHEMBL3287778 0.79 MEN1 (0.58) NUDT1MASP2MEN1ALDH1A1KMT2A
SCHEMBL29755094 0.79 NOS1 (0.39) MEN1KMT2ABACE1CSNK2A2CSNK2B
SCHEMBL14222708 0.76 NUDT1 (0.51) NUDT1MASP2MEN1ALDH1A1KMT2A
SCHEMBL17276062 0.76 NUDT1 (0.51) NUDT1MASP2MEN1ALDH1A1KMT2A
SCHEMBL17276083 0.76 NUDT1 (0.51) NUDT1MASP2MEN1ALDH1A1KMT2A
SCHEMBL9305381 0.76 NOS1 (0.37) MEN1KMT2ABACE1
SCHEMBL1701339 0.76 PARP1 (0.53) ALDH1A1BACE1CSNK2A1
SCHEMBL727228 0.76 MGAM (0.53) NUDT1MASP2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423763-B Regioselective synthesis of imidazo [1,2-a ] pyrimidines 豪夫迈·罗氏有限公司 2025-01-21 — — CN disclosed
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 — — EP disclosed
US-11325912-B2 Regio-selective synthesis of imidazo[1,2-a]pyrimidines GENENTECH, INC. (US) 2022-05-10 — — US disclosed
CN-114423763-A Regioselective synthesis of imidazo [1,2-a ] pyrimidines 豪夫迈·罗氏有限公司 2022-04-29 — — CN disclosed
EP-3966216-A1 REGIO-SELECTIVE SYNTHESIS OF IMIDAZO[1,2-A]PYRIMIDINES F. Hoffmann-La Roche AG (CH) 2022-03-16 — — EP disclosed
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 — — EP disclosed
US-20200369670-A1 REGIO-SELECTIVE SYNTHESIS OF IMIDAZO[1,2-a]PYRIMIDINES GENENTECH, INC. (US) 2020-11-26 — — US disclosed
WO-2020227576-A1 REGIO-SELECTIVE SYNTHESIS OF IMIDAZO[1,2-A]PYRIMIDINES GENENTECH, INC. (US) 2020-11-12 — — WO disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 — — US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 — — US disclosed
US-10227331-B2 Metallo-β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-12 — — US disclosed
US-10221163-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-05 — — US disclosed
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-30 — — US disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 — — US disclosed
US-9771372-B2 Compounds useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2017-09-26 — — US disclosed
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-07-20 — — US disclosed
CN-106414448-A Novel compounds useful as s100-inhibitors 活跃生物技术有限公司 2017-02-15 — — CN disclosed
EP-2991990-B1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-02-01 — — EP disclosed
EP-2991990-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS Active Biotech AB (SE) 2016-03-09 — — EP disclosed
WO-2015177367-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2015-11-26 — — 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 (9 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-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 NUDT1 2362/4885MASP2 862/4885MEN1 417/4885
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B NUDT1 2826/4885MASP2 589/4885MEN1 345/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 NUDT1 2283/4885MASP2 862/4885MEN1 433/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 NUDT1 2362/4885MASP2 862/4885MEN1 417/4885
US-10227331-B2 Metallo-β-lactamase inhibitors ALPI, GAA, ZFX NUDT1 2434/4885MASP2 718/4885MEN1 711/4885
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS ALPI, GAA, ZFX NUDT1 2412/4885MASP2 722/4885MEN1 700/4885
US-11325912-B2 Regio-selective synthesis of imidazo[1,2-a]pyrimidines CDK2, P2RY1, P2RX1 NUDT1 699/4885MASP2 4387/4885MEN1 2932/4885
US-20200369670-A1 REGIO-SELECTIVE SYNTHESIS OF IMIDAZO[1,2-a]PYRIMIDINES CDK2, P2RY1, P2RX1 NUDT1 699/4885MASP2 4387/4885MEN1 2932/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 NUDT1 2283/4885MASP2 862/4885MEN1 433/4885

“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.