Sugi Predict

Sugi Predict / Compounds / SCHEMBL617348

SCHEMBL617348

SCHEMBL617348

NC(=O)c1nc(Br)cnc1N

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 3/20 0.54
▸ GRM5 P41594 1/20 0.50
▸ PDPK1 O15530 1/20 0.41
▸ NNMT P40261 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PLAU P00749 3/20 0.37
▸ PRKDC P78527 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ GDA Q9Y2T3 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 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
SCHEMBL13353985 1.00 ATR (0.54) ATRGRM5PDPK1NNMTSMN1; SMN2
SCHEMBL14471555 0.83 PDPK1 (0.45) ATRGRM5PDPK1NNMTSMN1; SMN2
SCHEMBL410727 0.83 ATR (0.58) ATRGRM5SMN1; SMN2PRKDCATM
SCHEMBL12661686 0.83 ATR (0.42) ATRGRM5PDPK1NNMTSMN1; SMN2
SCHEMBL30085644 0.83 ATR (0.42) ATRGRM5PDPK1NNMTSMN1; SMN2
SCHEMBL29380472 0.82 ATR (0.41) ATRGRM5PDPK1NNMTSMN1; SMN2
SCHEMBL1337909 0.82 ATR (0.41) ATRGRM5PDPK1NNMTSMN1; SMN2
SCHEMBL11922291 0.82 ATR (0.53) ATRGRM5PRKDCATMPIM1
SCHEMBL29524205 0.81 PLAU (0.50) ATRGRM5PDPK1NNMTSMN1; SMN2
SCHEMBL17203639 0.81 ATR (0.47) ATRGRM5PLAUPIM1PIM3

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732523-A Preparation method for 6-fluoro-3-hydroxyl-2-pyrazinamide 青岛市黄岛区中医医院 2016-07-06 — — CN claimed
CN-102603658-A Preparation method of 6-fluorine-3-hydroxyl-2-pyrazinamide SHANDONG QIDU PHARMACEUTICAL 2012-07-25 — — CN claimed
US-12606562-B2 Pyridopyrimidines derivatives as P2X3 inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2026-04-21 — — US disclosed
CN-111777564-B Method for synthesizing quinazolinone compound by photocatalytic alcohol oxidation in aqueous phase 许昌学院 2023-07-14 — — CN disclosed
US-20230212169-A9 PYRIDOPYRIMIDINES DERIVATIVES AS P2X3 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-07-06 — — US disclosed
CN-111875549-B Method for synthesizing quinazolinone compound in aqueous phase through photocatalysis 许昌学院 2023-04-28 — — CN disclosed
CN-113106130-B Application of nitrile hydratase derived from staphylococcus aggregatus in preparation of amide pyrazine compounds 核芯生物医药科技(杭州)有限公司 2023-03-14 — — CN disclosed
CN-113025671-B Application of nitrile hydratase derived from sinorhizobium meliloti in preparation of amide pyrazine compounds 浙江恒康药业股份有限公司 2023-01-31 — — CN disclosed
US-20220235060-A1 PYRIDOPYRIMIDINES DERIVATIVES AS P2X3 INHIBITORS CHIESI FARM SPA (IT) 2022-07-28 — — US disclosed
CN-114222741-A As P2X3Suppression ofPyridopyrimidine derivatives as agents 奇斯药制品公司 2022-03-22 — — CN disclosed
CN-113106130-A Application of nitrile hydratase derived from staphylococcus aggregatus in preparation of amide pyrazine compounds 浙江恒康药业股份有限公司 2021-07-13 — — CN disclosed
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 — — EP disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 — — US disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 — — EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 — — WO disclosed
EP-0537937-A2 Substituted pyrazino 2,3-D pyrimidinones as angiotensin II antagonists MERCK & CO. INC. (US) 1993-04-21 — — EP disclosed
US-5002944-A Compounds having cardiotonic activity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-03-26 — — US disclosed
EP-0333727-A1 HETEROCYCLIC SUBSTITUTED BICYCLOUREAS HAVING CARDIOTONIC ACTIVITY RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1989-09-27 — — EP disclosed
US-4859672-A Pyrido[2,3-d]pyrimidinone and imidazo[4,5-b]pyrimidinone RORER PHARMACEUTICAL CORPORATION (US) 1989-08-22 — — US disclosed
WO-1988003025-A1 HETEROCYCLIC SUBSTITUTED BICYCLOUREAS HAVING CARDIOTONIC ACTIVITY RORER INTERNATIONAL (OVERSEAS) INC. (US) 1988-05-05 — — 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 (4 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 ATR 556/4885GRM5 327/4885PDPK1 55/4885
US-20220235060-A1 PYRIDOPYRIMIDINES DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX5, P2RX1 ATR 3450/4885GRM5 737/4885PDPK1 475/4885
US-12606562-B2 Pyridopyrimidines derivatives as P2X3 inhibitors P2RX3, P2RX1, P2RX2 ATR 2901/4885GRM5 1397/4885PDPK1 1650/4885
US-20230212169-A9 PYRIDOPYRIMIDINES DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX5, P2RX1 ATR 3450/4885GRM5 737/4885PDPK1 475/4885

“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.