SCHEMBL1012178

SCHEMBL1012178

COC(=O)c1cc(OCc2ccccc2)c(OC)cc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
SMPD1 P17405 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CTSV O60911 3/20 0.52
CTSL P07711 3/20 0.52
HPGD P15428 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SRD5A1 P18405 2/20 0.50
SRD5A2 P31213 2/20 0.50
LMNA P02545 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL1892032 1.00 KDM4E (0.66) KDM4ESMPD1HDAC1HDAC8HDAC6
SCHEMBL1781100 0.93 KDM4E (0.56) KDM4ESMPD1HDAC1HDAC8HDAC6
SCHEMBL2089698 0.91 KDM4E (0.52) KDM4ESMPD1HDAC1HDAC8HDAC6
SCHEMBL23459152 0.91 KDM4E (0.52) KDM4ESMPD1HDAC1HDAC8HDAC6
SCHEMBL3138320 0.89 CTSV (0.57) KDM4ESMPD1HDAC1HDAC8HDAC6
SCHEMBL4728946 0.89 CTSV (0.57) KDM4ESMPD1HDAC1HDAC8HDAC6
SCHEMBL4469125 0.88 SMN1; SMN2 (0.52) KDM4ESMPD1HDAC1HDAC8HDAC6
SCHEMBL874091 0.88 HTT (0.55) KDM4ESMPD1HDAC1HDAC8HDAC6
SCHEMBL340527 0.88 SMN1; SMN2 (0.52) KDM4ESMPD1HDAC1HDAC8HDAC6
SCHEMBL159448 0.88 HTT (0.55) KDM4ESMPD1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 US disclosed
CN-116568689-A Polycyclic pyrimidine derivative as SOS1 inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2023-08-08 CN disclosed
WO-2022170917-A1 POLYCYCLIC PYRIMIDINE DERIVATIVE AS SOS1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州阿尔脉生物科技有限公司 2022-08-18 WO disclosed
US-20220235013-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-07-28 US disclosed
US-11365189-B2 Heterocyclic inhibitors of tyrosine kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-21 US disclosed
US-11365189-B2 Heterocyclic inhibitors of tyrosine kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-21 US disclosed
US-20220162172-A1 QUINAZOLINONE COMPOUNDS CEREPEUT, INC. 2022-05-26 US disclosed
EP-3962908-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE Board of Regents, The University of Texas System (US) 2022-03-09 EP disclosed
CN-114026083-A Heterocyclic inhibitors of tyrosine kinases 德州大学系统董事会 2022-02-08 CN disclosed
US-20200354343-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-11-12 US disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed
EP-1384712-B1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BREWERY (JP) 2007-03-07 EP disclosed
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-02-01 US disclosed
US-7169789-B2 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-01-30 US disclosed
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-10-21 US disclosed
US-6797823-B1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-09-28 US disclosed
EP-1384712-A1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-28 EP disclosed
EP-1153920-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BREWERY (JP) 2003-10-29 EP disclosed
EP-1153920-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 2001-11-14 EP 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 (7 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-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 KDM4E 2073/4885SMPD1 2794/4885HDAC1 4233/4885
US-20220162172-A1 QUINAZOLINONE COMPOUNDS NDUFAB1, NDUFV1, NDUFV2 KDM4E 4109/4885SMPD1 1909/4885HDAC1 951/4885
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives CYTH3, NQO2, NRAS KDM4E 3631/4885SMPD1 2226/4885HDAC1 3365/4885
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives RABL3, NRAS, CYTH3 KDM4E 3579/4885SMPD1 2040/4885HDAC1 3547/4885
US-20220235013-A1 2-METHYL-QUINAZOLINES NRAS, KRAS, KSR2 KDM4E 2073/4885SMPD1 2794/4885HDAC1 4233/4885
US-20200354343-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE ERBB2, ERBB3, EGFR KDM4E 2729/4885SMPD1 1718/4885HDAC1 1539/4885
US-11365189-B2 Heterocyclic inhibitors of tyrosine kinase ERBB2, ERBB3, EGFR KDM4E 2729/4885SMPD1 1718/4885HDAC1 1539/4885

“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.