Sugi Predict

Sugi Predict / Compounds / SCHEMBL1829942

SCHEMBL1829942

SCHEMBL1829942

CCCCSc1nc(Cl)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 2/20 0.44
▸ TLR7 Q9NYK1 1/20 0.44
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ RIN1 Q13671 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GSR P00390 1/20 0.33
▸ TXNRD1 Q16881 1/20 0.33
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 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
SCHEMBL7480837 0.95 TLR7 (0.43) HASPINTLR7SMN1; SMN2NPC1RAB9A
SCHEMBL1254741 0.90 TLR7 (0.51) HASPINTLR7SMN1; SMN2NPC1RAB9A
SCHEMBL10074072 0.83 HASPIN (0.40) HASPINTLR7SMN1; SMN2POLBKDM4E
SCHEMBL16019753 0.81 TLR7 (0.47) HASPINTLR7POLBKDM4ELMNA
SCHEMBL11857075 0.81 HASPIN (0.44) HASPINUSP2SMN1; SMN2NPC1RAB9A
SCHEMBL7564825 0.80 TLR7 (0.47) HASPINTLR7SMN1; SMN2NPC1RAB9A
SCHEMBL26640974 0.79 TLR7 (0.39) HASPINTLR7MAPTALDH1A1
SCHEMBL11679118 0.78 PDE4A (0.38) HASPINTLR7SMN1; SMN2LMNAMAPT
SCHEMBL14889085 0.78 TLR7 (0.45) HASPINTLR7ADORA3MAPTALDH1A1
SCHEMBL22130771 0.78 TLR7 (0.45) HASPINTLR7SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12318388-B2 Pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling Université de Liège (BE) 2025-06-03 — — US disclosed
CN-113329753-B Pyrimidine derivatives for the prevention and treatment of gram-negative bacterial infections, pollution and fouling 列日大学 2024-08-13 — — CN disclosed
EP-3955929-B1 NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING UNIV LIEGE (BE) 2024-05-15 — — EP disclosed
CN-111386271-B Pyrimidine derivatives for the prevention and treatment of bacterial infections 列日大学 2023-05-30 — — CN disclosed
EP-3752506-B1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS UNIV LIEGE (BE) 2022-12-14 — — EP disclosed
EP-3752506-B1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS UNIV LIEGE (BE) 2022-12-14 — — EP disclosed
US-11434241-B2 Pyrimidine derivatives for prevention and treatment of bacterial infections Université de Liège (BE) 2022-09-06 — — US disclosed
EP-3955929-A1 NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2022-02-23 — — EP disclosed
US-20210290625-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2021-09-23 — — US disclosed
US-20210290625-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2021-09-23 — — US disclosed
US-6974868-B2 Compounds ASTRAZENECA AB (SE) 2005-12-13 — — US disclosed
EP-1135391-B1 NOVEL TRIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 — — EP disclosed
EP-1386909-A1 Cyclopropane amines AstraZeneca AB (SE) 2004-02-04 — — EP disclosed
EP-1386921-A1 Intermediates AstraZeneca AB (SE) 2004-02-04 — — EP disclosed
EP-1386917-A1 Intermediates AstraZeneca AB (SE) 2004-02-04 — — EP disclosed
US-20030144305-A1 Novel compounds ASTRAZENECA AB 2003-07-31 — — US disclosed
US-6525060-B1 P2T (P2YADP or P2TAC) receptor antagonists; anticoagulant, antithrombotic ASTRAZENECA UK LIMITED (GB) 2003-02-25 — — US disclosed
EP-1135391-A1 NOVEL TRIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-09-26 — — EP disclosed
WO-2000034283-A1 NOVEL TRIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-06-15 — — WO disclosed
US-3969101-A 4,6-DIAMINO-5-NITRO-2-ALKYLTHIO-PYRIMIDINES CIBA-GEIGY CORPORATION (US) 1976-07-13 — — 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 (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-12318388-B2 Pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling PIGS, TYMP, TYMS HASPIN 2047/4885TLR7 1334/4885USP2 4421/4885
US-20210290625-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING PIGS, TYMP, TYMS HASPIN 2047/4885TLR7 1334/4885USP2 4421/4885
US-20030144305-A1 Novel compounds DPYD, TYMP, NUDT15 HASPIN 2729/4885TLR7 947/4885USP2 3854/4885
US-11434241-B2 Pyrimidine derivatives for prevention and treatment of bacterial infections TYMP, TYMS, UMPS HASPIN 2336/4885TLR7 1835/4885USP2 4649/4885

“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.