SCHEMBL15217022

SCHEMBL15217022

COc1cc(N)c(C(C)=O)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
HTT P42858 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CYP1A2 P05177 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
DRD1 P21728 1/20 0.44
ACHE P22303 1/20 0.44
PTGS1 P23219 1/20 0.44
DRD3 P35462 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL29915081 1.00 KDM4E (0.51) KDM4EHTTL3MBTL1POLBLCK
SCHEMBL1707143 0.86 LCK (0.58) KDM4EHTTL3MBTL1POLBLCK
SCHEMBL17653164 0.86 KDM4E (0.51) KDM4EHTTL3MBTL1POLBLCK
SCHEMBL705665 0.85 KDM4E (0.69) KDM4EHTTL3MBTL1POLBLCK
SCHEMBL30870738 0.85 KDM4E (0.69) KDM4EHTTL3MBTL1POLBLCK
SCHEMBL856563 0.84 KDM4E (0.74) KDM4EL3MBTL1POLBLCKFYN
SCHEMBL16462717 0.83 CYP3A4 (0.50) KDM4EHTTLCKFYNCYP1A2
SCHEMBL24792076 0.81 KDM4E (0.51) KDM4EL3MBTL1POLBLCKFYN
SCHEMBL17653373 0.81 HMGCR (0.50) KDM4EL3MBTL1POLBLCKFYN
SCHEMBL1580024 0.81 TSHR (0.53) KDM4ECYP1A2HTR1AADRA2ACYP2D6

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
US-20240190904-A1 Heteroaryl compounds as inhibitors of RIP2 kinase, composition and application thereof ACCRO BIOSCIENCE (HK) LIMITED (HK) 2024-06-13 US disclosed
EP-4322947-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF RIP2 KINASE, COMPOSITION AND APPLICATION THEREOF Accro Bioscience (HK) Limited (HK) 2024-02-21 EP disclosed
EP-3558979-B1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-02-17 EP disclosed
EP-2984088-B1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES LLC (US) 2019-03-20 EP disclosed
WO-2018115380-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-28 WO disclosed
US-20170290838-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC 2017-10-12 US disclosed
US-9757382-B2 Quinazolines and azaquinazolines as dual inhibitors of RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/mTOR pathways ASANA BIOSCIENCES, LLC (US) 2017-09-12 US disclosed
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
US-20170027953-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC (US) 2017-02-02 US disclosed
US-9499495-B2 Quinazolines and azaquinazolines as dual inhibitors of RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/mTOR pathways ASANA BIOSCIENCES, LLC (US) 2016-11-22 US disclosed
EP-2615089-B1 Pyrazoloquinoline compounds ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
WO-2016053794-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 WO disclosed
WO-2016053794-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 WO disclosed
US-20160068496-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-03-10 US disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 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-20160068496-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS NRAS, KRAS, BRAF KDM4E 376/4885HTT 2307/4885L3MBTL1 2616/4885
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND PDE9A, PDE5A, PDE2A KDM4E 1337/4885HTT 3456/4885L3MBTL1 4366/4885
US-20170290838-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS NRAS, KRAS, BRAF KDM4E 386/4885HTT 2260/4885L3MBTL1 2629/4885
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS AAK1, ULK1, NCK1 KDM4E 1536/4885HTT 3291/4885L3MBTL1 1727/4885
US-20170027953-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS NRAS, KRAS, BRAF KDM4E 386/4885HTT 2260/4885L3MBTL1 2629/4885
US-20240190904-A1 Heteroaryl compounds as inhibitors of RIP2 kinase, composition and application thereof RIPK2, RIPK1, RIPK3 KDM4E 2979/4885HTT 2043/4885L3MBTL1 2247/4885

“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.