SCHEMBL3596178

SCHEMBL3596178

CNC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
MAOA P21397 1/20 0.64
MAOB P27338 1/20 0.64
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
RAB9A P51151 3/20 0.63
NPC1 O15118 2/20 0.63
CNR1 P21554 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 2/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
FPR2 P25090 1/20 0.54
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL10155599 0.89 ALDH1A1 (0.78) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8993463 0.86 MAOA (0.83) MAOAMAOBKMT2AMEN1RAB9A
SCHEMBL14153155 0.83 MAOA (0.60) ALDH1A1MAOAMAOBKMT2AMEN1
SCHEMBL5443582 0.82 MAOA (0.69) MAOAMAOBKMT2AMEN1RAB9A
SCHEMBL20852214 0.82 ALDH1A1 (0.69) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4555020 0.81 MAPT (0.72) ALDH1A1MAOAMAOBKMT2AMEN1
SCHEMBL18814508 0.80 KMT2A (0.67) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL172125 0.80 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL2718417 0.80 ALDH1A1 (0.67) ALDH1A1MAOAMAOBKMT2AMEN1
SCHEMBL12513188 0.78 MAPT (0.53) ALDH1A1MAOAMAOBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025030117-A1 FERROPTOSIS INDUCERS ARPEGGIO BIOSCIENCES, INC. (US) 2025-02-06 WO disclosed
US-20210113578-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC 2021-04-22 US disclosed
US-20210113578-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC 2021-04-22 US disclosed
US-10912779-B2 Quinazolines and azaquinazolines as dual inhibitors of RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/mTOR pathways ASANA BIOSCIENCES, LLC (US) 2021-02-09 US disclosed
US-10912779-B2 Quinazolines and azaquinazolines as dual inhibitors of RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/mTOR pathways ASANA BIOSCIENCES, LLC (US) 2021-02-09 US disclosed
US-10869872-B2 2020-12-22 US disclosed
US-10869872-B2 2020-12-22 US disclosed
CN-105283454-B Quinazoline and azepine quinazoline as RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/MTOR access double inhibitor ASANA BIOSCIENCES, LLC (US) 2019-10-29 CN disclosed
US-10351522-B2 Sulfonamide derivative and pharmaceutically acceptable acid addition salt thereof UNIVERSITY OF TSUKUBA (JP) 2019-07-16 US disclosed
US-20190151327-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC 2019-05-23 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed
WO-2005024755-A2 MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS OR DIABETES DECIPHERA PHARMACEUTICALS, LLC. (US) 2005-03-17 WO disclosed
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed
CN-1257481-A Pyridine derivatives and pharmaceutical compositions containing them ASTRA PHARMA PROD (GB) 2000-06-21 CN disclosed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed
US-4045209-A Substituted ureas as herbicides ROUSSEL UCLAF (FR) 1977-08-30 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 (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-20190151327-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS NRAS, KRAS, BRAF ALDH1A1 3815/4885MAOA 2985/4885MAOB 2784/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR ALDH1A1 3243/4885MAOA 4022/4885MAOB 3491/4885
US-10351522-B2 Sulfonamide derivative and pharmaceutically acceptable acid addition salt thereof HCRTR2, HCRTR1, NPSR1 ALDH1A1 968/4885MAOA 1029/4885MAOB 1861/4885
US-10869872-B2 NRAS, KRAS, BRAF ALDH1A1 3639/4885MAOA 3121/4885MAOB 2978/4885
US-20210113578-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS NRAS, KRAS, BRAF ALDH1A1 3815/4885MAOA 2985/4885MAOB 2784/4885
US-10912779-B2 Quinazolines and azaquinazolines as dual inhibitors of RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/mTOR pathways NRAS, KRAS, BRAF ALDH1A1 3815/4885MAOA 2985/4885MAOB 2784/4885

“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.