SCHEMBL4486771

SCHEMBL4486771

CNC(=O)C(=O)NCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
ALDH1A1 P00352 3/20 0.66
MEN1 O00255 3/20 0.66
MAPT P10636 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 1/20 0.55
MITF O75030 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.51
RIPK1 Q13546 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL3056874 0.89 KMT2A (0.71) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL10058715 0.84 MEN1 (0.66) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL14032603 0.83 KMT2A (0.66) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL18779899 0.83 ALDH1A1 (0.51) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL18415446 0.82 RAB9A (0.71) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL969258 0.82 SMN1; SMN2 (0.67) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL18459819 0.82 ALDH1A1 (0.66) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL7563589 0.82 ALDH1A1 (0.62) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL1867492 0.81 ALDH1A1 (0.61) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL6175376 0.81 CYP1A2 (0.70) KMT2AALDH1A1MEN1MAPTL3MBTL1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137223-A1 PAN-KRAS INHIBITORS AND USES THEREOF NEWAVE PHARMACEUTICAL INC. (US) 2023-07-20 WO disclosed
EP-3326715-B1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE CE PHARM CO LTD (CN) 2021-09-15 EP disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 US disclosed
EP-3326715-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2018-05-30 EP disclosed
WO-2017012379-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE 中国科学院上海有机化学研究所 2017-01-26 WO disclosed
US-20140031277-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-30 US disclosed
US-8536136-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-17 US disclosed
EP-1692157-B1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMA (US) 2013-04-17 EP disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 US disclosed
EP-1465631-A4 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-03-30 EP disclosed
EP-1465631-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-13 EP disclosed
WO-2003053366-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 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 (6 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-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 KMT2A 4800/4885ALDH1A1 1929/4885MEN1 2329/4885
US-20140031277-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 KMT2A 2481/4885ALDH1A1 1658/4885MEN1 3966/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK KMT2A 3787/4885ALDH1A1 1744/4885MEN1 2342/4885
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 KMT2A 2079/4885ALDH1A1 2146/4885MEN1 4340/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 KMT2A 4800/4885ALDH1A1 1929/4885MEN1 2329/4885
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE AOC2, AOC1, AOC3 KMT2A 1774/4885ALDH1A1 213/4885MEN1 388/4885

“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.