SCHEMBL4028017

SCHEMBL4028017

[c]1ccc2c(c1)ccn2Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.49
APP P05067 6/20 0.47
SNCA P37840 4/20 0.44
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PLAU P00749 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ERBB2 P04626 1/20 0.39
NR1I2 O75469 1/20 0.39

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
SCHEMBL3200268 0.87 HTR6 (0.49) HTR6APPSNCANPC1HSP90AA1
SCHEMBL16720003 0.84 CDK4 (0.44) KMT2ACDK4CCND1
SCHEMBL693231 0.84 HTR6 (0.46) HTR6APPPLAUKMT2AHDAC1
SCHEMBL4035905 0.82 SLC2A1 (0.46) HTR6NPC1PLAU
SCHEMBL694100 0.82 CYP11B1 (0.43) HTR6APPSNCAKMT2A
SCHEMBL17044139 0.81 CYP19A1 (0.46) APPSNCAPLAU
SCHEMBL6231276 0.80 TSHR (0.39) HTR6APPKMT2ACDK4CCND1
SCHEMBL22533706 0.79 HTR6 (0.65) HTR6APPPLAUKMT2AHDAC1
SCHEMBL31021 0.78 HTR6 (0.73) HTR6APPSNCAPLAUKMT2A
SCHEMBL29509279 0.78 HTR6 (0.73) HTR6APPSNCAPLAUKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP claimed
EP-1905762-A1 PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-04-02 EP claimed
EP-1900728-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-03-19 EP claimed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US claimed
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
EP-1778639-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2015-09-02 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
EP-1905762-A1 PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-04-02 EP disclosed
EP-1900728-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-03-19 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
EP-1390354-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS Amgen Inc. (US) 2004-02-25 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2002083653-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed
CN-1073443-A Preparation method with macrolide of immunosuppressive activity MERCK & CO INC (US) 1993-06-23 CN 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 (2 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-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 HTR6 1693/4885APP 4543/4885SNCA 3665/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 HTR6 2321/4885APP 4605/4885SNCA 3943/4885

“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.