Sugi Predict

Sugi Predict / Compounds / SCHEMBL3870583

SCHEMBL3870583

SCHEMBL3870583

O=C1NC(=O)c2cc([N+](=O)[O-])c(F)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ ATM Q13315 1/20 0.47
▸ MAOA P21397 4/20 0.47
▸ MAOB P27338 3/20 0.47
▸ ESPL1 Q14674 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ VCAM1 P19320 1/20 0.43
▸ PGR P06401 2/20 0.43
▸ CYP1A2 P05177 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GRIK1 P39086 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ GRIA2 P42262 1/20 0.39

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
SCHEMBL772678 0.87 CYP3A4 (0.59) TDP1CYP3A4MAOAMAOBALDH1A1
SCHEMBL15712304 0.80 CAPN9 (0.53) TDP1ATMESPL1ALDH1A1HIF1A
SCHEMBL421305 0.78 CYP3A4 (0.50) TDP1CYP3A4MAOAMAOBALDH1A1
SCHEMBL30577139 0.78 TDP1 (0.50) TDP1CYP3A4MAOAMAOBALDH1A1
SCHEMBL29835178 0.78 CYP3A4 (0.50) TDP1CYP3A4MAOAMAOBALDH1A1
SCHEMBL24414604 0.78 MAOA (0.50) TDP1CYP3A4MAOAMAOBALDH1A1
SCHEMBL786237 0.78 CYP3A4 (0.50) TDP1CYP3A4MAOAMAOBALDH1A1
SCHEMBL787009 0.78 TDP1 (0.50) TDP1CYP3A4MAOAMAOBALDH1A1
SCHEMBL438741 0.78 TDP1 (0.50) TDP1CYP3A4MAOAMAOBALDH1A1
SCHEMBL438752 0.78 CYP3A4 (0.50) TDP1CYP3A4MAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250235456-A1 METHODS OF USE FOR AZA-QUINAZOLINE COMPOUNDS IAMBIC THERAPEUTICS, INC. 2025-07-24 — — US disclosed
EP-4558502-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE Iambic Therapeutics, Inc. (US) 2025-05-28 — — EP disclosed
CN-120051470-A Azaquinazoline compounds and methods of use 依安彼克医疗有限公司 2025-05-27 — — CN disclosed
US-20240034731-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. 2024-02-01 — — US disclosed
WO-2024020419-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 — — WO disclosed
WO-2024020419-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 — — WO disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 — — US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 — — US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 — — US disclosed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 — — WO disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 — — US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 — — US disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 — — EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 — — US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 — — US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 — — US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 — — US disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 — — EP disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 — — WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 — — 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 TDP1 2499/4885CYP3A4 8/4885ATM 1829/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 TDP1 2499/4885CYP3A4 8/4885ATM 1829/4885
US-20240034731-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE CCNI, CDKN1A, CDK8 TDP1 938/4885CYP3A4 563/4885ATM 188/4885
US-20250235456-A1 METHODS OF USE FOR AZA-QUINAZOLINE COMPOUNDS AZI2, TPMT, HDAC10 TDP1 506/4885CYP3A4 892/4885ATM 4566/4885

“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.