SCHEMBL264575

SCHEMBL264575

CCOC(=O)c1cc(OCCOC)c(OCCOC)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
PTGER4 P35408 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CCR6 P51684 2/20 0.48
LMNA P02545 2/20 0.48
GALR2 O43603 1/20 0.48
MITF O75030 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
XBP1 P17861 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.47
PKM P14618 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
THRB P10828 1/20 0.45
NPC1 O15118 1/20 0.43

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
SCHEMBL5500527 0.96 HTT (0.53) ALDH1A1MAPTPTGER4RAB9APOLB
SCHEMBL17854642 0.96 MAPT (0.46) ALDH1A1MAPTPTGER4RAB9APOLB
SCHEMBL17836942 0.94 ALDH1A1 (0.46) ALDH1A1MAPTPTGER4RAB9APOLB
SCHEMBL641711 0.90 TNF (0.42) ALDH1A1MAPTPTGER4RAB9APOLB
SCHEMBL4342538 0.90 TNF (0.42) ALDH1A1MAPTPTGER4RAB9APOLB
SCHEMBL874176 0.88 POLB (0.52) ALDH1A1MAPTPOLBLMNAHTT
SCHEMBL3471735 0.88 HTT (0.50) ALDH1A1MAPTPOLBLMNAHTT
SCHEMBL1012650 0.88 ALDH1A1 (0.53) ALDH1A1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL300188 0.87 ALDH1A1 (0.48) ALDH1A1MAPTPTGER4RAB9APOLB
SCHEMBL8263297 0.85 MEN1 (0.55) ALDH1A1MAPTRAB9APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104725327-A Environment-friendly method for preparing high-yield erlotinib hydrochloride UNIV SHANDONG 2015-06-24 CN claimed
WO-2013156835-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF ERLOTINIB HYDROCHLORIDE FORM A LAURUS LABS PRIVATE LIMITED (IN) 2013-10-24 WO claimed
US-8133999-B2 Process for preparation of 6, 7-bis(2-methoxyethoxy) quinazolin-4-one UBE INDUSTRIES, LTD. (JP) 2012-03-13 US claimed
EP-1650196-B1 PROCESS FOR PRODUCING 6,7-BIS(2-METHOXYETHOXY)-QUINAZOLIN-4-ONE UBE INDUSTRIES (JP) 2011-03-30 EP claimed
US-20090253909-A1 PROCESS FOR PREPARATION OF 6, 7-BIS (2-METHOXYETHOXY) QUINAZOLIN-4-ONE UBE INDUSTRIES, LTD. (JP) 2009-10-08 US claimed
US-20060276647-A1 Process for producing 6, 7-bis (2-methoxyethoxy)-quinazolin-4-one UBE INDUSTRIES, LTD (JP) 2006-12-07 US claimed
EP-1650196-A1 PROCESS FOR PRODUCING 6,7-BIS(2-METHOXYETHOXY)-QUINAZOLIN-4-ONE Ube Industries, Ltd. (JP) 2006-04-26 EP claimed
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
EP-3103799-B1 QUINAZOLINE DERIVATIVES OSI PHARMACEUTICALS LLC (US) 2018-06-06 EP disclosed
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US disclosed
US-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 US disclosed
EP-3015460-B1 PROCESS FOR THE PREPARATION OF ERLOTINIB CERBIOS-PHARMA S A (CH) 2017-05-17 EP disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
US-5747498-A Alkynyl and azido-substituted 4-anilinoquinazolines PFIZER INC. (US) 1998-05-05 US disclosed
EP-0817775-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1998-01-14 EP disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996030347-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1996-10-03 WO disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 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 (4 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-20060276647-A1 Process for producing 6, 7-bis (2-methoxyethoxy)-quinazolin-4-one CPS1, CYP3A4, RPS27A ALDH1A1 1913/4885MAPT 2529/4885PTGER4 2944/4885
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF ALDH1A1 2803/4885MAPT 3020/4885PTGER4 3468/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 2803/4885MAPT 3020/4885PTGER4 3468/4885
US-20090253909-A1 PROCESS FOR PREPARATION OF 6, 7-BIS (2-METHOXYETHOXY) QUINAZOLIN-4-ONE CYP4F11, OGFR, CYP4B1 ALDH1A1 897/4885MAPT 3808/4885PTGER4 1691/4885

“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.