Sugi Predict

Sugi Predict / Compounds / SCHEMBL2643542

SCHEMBL2643542

SCHEMBL2643542

O=[N+]([O-])c1cccc(-n2cccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 3/20 0.52
▸ NFE2L2 Q16236 3/20 0.52
▸ HPN P05981 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ SCN2A Q99250 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ FGFR1 P11362 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL4449726 0.81 NOTUM (0.55) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL2627225 0.79 NOTUM (0.59) KEAP1NFE2L2HPNLMNATSHR
SCHEMBL5934873 0.78 NOTUM (0.57) KEAP1LMNAALDH1A1MAPTMEN1
SCHEMBL23702646 0.78 ALDH1A1 (0.41) KEAP1NFE2L2LMNAALDH1A1MAPT
SCHEMBL23702657 0.78 ALDH1A1 (0.41) KEAP1NFE2L2LMNAALDH1A1MAPT
SCHEMBL30104052 0.78 ALDH1A1 (0.41) KEAP1NFE2L2LMNAALDH1A1MAPT
SCHEMBL23712697 0.78 TSHR (0.50) LMNATSHRALDH1A1MAPTMEN1
SCHEMBL31413300 0.78 ALDH1A1 (0.41) KEAP1NFE2L2LMNAALDH1A1MAPT
SCHEMBL2627226 0.78 SCN2A (0.57) KEAP1NFE2L2HPNLMNATSHR
SCHEMBL30782027 0.78 SCN2A (0.57) KEAP1NFE2L2HPNLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230063230-A1 NURR1 RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-02 — — US disclosed
CN-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 — — CN disclosed
EP-3818044-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2021-05-12 — — EP disclosed
WO-2020150417-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-07-23 — — WO disclosed
EP-1497019-B1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-05-20 — — EP disclosed
CN-104356131-A 1,10-Phenanthroline monohydrate-N-monoxide derivative ligand and application thereof SHANGHAI INST TECHNOLOGY 2015-02-18 — — CN disclosed
US-20110098467-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 — — US disclosed
US-20110098467-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 — — US disclosed
EP-2289894-A2 Pyrrolo-triazine compounds useful as kinase inhibitors Bristol-Myers Squibb Company (US) 2011-03-02 — — EP disclosed
US-20100240646-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-09-23 — — US disclosed
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-22 — — US disclosed
US-7160883-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS-SQUIBB COMPANY (US) 2007-01-09 — — US disclosed
US-7160883-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS-SQUIBB COMPANY (US) 2007-01-09 — — US disclosed
EP-1164134-A1 Benzimidazole compounds and their use as modulators of the GABA A receptor complex NEUROSEARCH A/S (DK) 2001-12-19 — — EP disclosed
EP-0821684-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2001-12-05 — — EP disclosed
CN-1072669-C Benzimidazole compounds and their use as GABAAUse of receptor complex modulators NEURORES AS (DK) 2001-10-10 — — CN disclosed
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 — — US disclosed
CN-1182427-A Benzimidazole compounds and their use as modulators of GABA receptor complexes NEUROSEARCH AS (DK) 1998-05-20 — — CN disclosed
EP-0821684-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 — — EP disclosed
WO-1996033194-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 — — 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-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors PLK2, CDK2, MAP3K15 KEAP1 2617/4885NFE2L2 2953/4885HPN 2673/4885
US-20110098467-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS PLK2, CDK2, MAP3K15 KEAP1 2617/4885NFE2L2 2953/4885HPN 2673/4885
US-20230063230-A1 NURR1 RECEPTOR MODULATORS NR2E3, NR4A2, NR0B1 KEAP1 1183/4885NFE2L2 449/4885HPN 3328/4885
US-20100240646-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS PLK2, CDK2, MAP3K15 KEAP1 2617/4885NFE2L2 2953/4885HPN 2673/4885

“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.