Sugi Predict

Sugi Predict / Compounds / SCHEMBL1406554

SCHEMBL1406554

SCHEMBL1406554

Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.63
▸ MEN1 O00255 6/20 0.63
▸ PDE7A Q13946 1/20 0.61
▸ GAA P10253 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPT P10636 8/20 0.50
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HPGD P15428 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ S1PR4 O95977 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
SCHEMBL29888161 0.86 MEN1 (0.53) KMT2AMEN1PDE7AGAAPKM
SCHEMBL216106 0.86 MEN1 (0.53) KMT2AMEN1PDE7AGAAPKM
SCHEMBL5567177 0.84 KMT2A (0.51) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL1406484 0.84 HSPB1 (0.57) KMT2AMEN1PDE7AALDH1A1MAPT
SCHEMBL5571120 0.84 PDE7A (0.61) KMT2AMEN1PDE7AGAAPKM
SCHEMBL30879429 0.84 PDE7A (0.69) KMT2AMEN1PDE7AGAAPKM
SCHEMBL5570082 0.81 MEN1 (0.48) KMT2AMEN1PDE7AGAAALDH1A1
SCHEMBL30879375 0.80 MEN1 (0.62) KMT2AMEN1PDE7AGAAPKM
SCHEMBL4033756 0.80 MEN1 (0.62) KMT2AMEN1PDE7AGAAPKM
SCHEMBL177869 0.80 HTT (0.58) KMT2AMEN1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023015240-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-02-09 — — WO disclosed
EP-1838712-B8 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2011-10-12 — — EP disclosed
CN-101124228-B Pyrazolopyrimidine compounds as antitumor agents ASTRAZENECA AB 2011-06-15 — — CN disclosed
US-7947676-B2 2-{[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy-}ethanol; erbB2 receptor tyrosine kinase inhibitor; anticarcinogenic, antitumor agnet; solid tumor and nonsolid such as leukaemia, multiple myeloma and lymphoma ASTRAZENECA AB (SE) 2011-05-24 — — US disclosed
EP-1838712-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2011-03-09 — — EP disclosed
EP-1664029-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-12-02 — — EP disclosed
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 — — US disclosed
US-20080108613-A1 Pyrazolopyrimidine Compounds as Antitumor Agents ASTRAZENECA AB (SE) 2008-05-08 — — US disclosed
CN-101124228-A Pyrazolopyrimidine compounds as antitumor agents ASTRAZENECA AB (SE) 2008-02-13 — — CN disclosed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 — — US disclosed
EP-1838712-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2007-10-03 — — EP disclosed
CN-1993349-A Quinazoline derivatives as ERBB receptor tyrosine kinases ASTRAZENECA AB (SE) 2007-07-04 — — CN disclosed
EP-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 — — EP disclosed
US-20070015743-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2007-01-18 — — US disclosed
CN-1882572-A Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2006-12-20 — — CN disclosed
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 — — WO disclosed
WO-2006064196-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2006-06-22 — — WO disclosed
EP-1664029-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2006-06-07 — — EP disclosed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 — — WO disclosed
WO-2005026152-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2005-03-24 — — 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 (3 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-20070015743-A1 Quinazoline derivatives as antitumor agents ERBB2, ABL1, EGFR KMT2A 1832/4885MEN1 2379/4885PDE7A 4716/4885
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 KMT2A 1521/4885MEN1 4404/4885PDE7A 124/4885
US-20080108613-A1 Pyrazolopyrimidine Compounds as Antitumor Agents ERBB2, ERBB3, ERBB4 KMT2A 3047/4885MEN1 2806/4885PDE7A 3636/4885

“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.