SCHEMBL689528

SCHEMBL689528

COc1ccc2c(c1)[nH]c1c(C)c(OS(=O)(=O)c3cccc4c(N(C)C)cccc34)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.42
HTR6 P50406 3/20 0.42
ACHE P22303 2/20 0.42
CDK2 P24941 2/20 0.42
CYP1A2 P05177 2/20 0.42
HIF1A Q16665 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DYRK3 O43781 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNB2 O95067 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CDK1 P06493 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
CCNB1 P14635 1/20 0.42
HPGD P15428 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CCNA2 P20248 1/20 0.42

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
SCHEMBL18487742 0.91 DYRK1A (0.41) DYRK1AHTR6ACHECDK2CYP1A2
SCHEMBL20434656 0.89 EDNRA (0.41) HTR6CYP1A2HIF1AKDM4ECYP3A4
SCHEMBL18487738 0.88 DYRK1A (0.39) DYRK1AHTR6ACHECDK2CYP1A2
SCHEMBL18488193 0.87 CA2 (0.39) HTR6CYP1A2HIF1AKDM4ECYP3A4
SCHEMBL18439544 0.86 HTR6 (0.46) DYRK1AHTR6ACHECDK2CYP1A2
SCHEMBL12588733 0.86 MAOA (0.43) DYRK1AHTR6CYP1A2HIF1AMAOA
SCHEMBL689951 0.85 KDM4E (0.43) HTR6CYP1A2HIF1AKDM4EALDH1A1
SCHEMBL18487536 0.82 KDM4E (0.48) HTR6ACHECYP1A2HIF1AKDM4E
SCHEMBL18488198 0.82 EDNRA (0.48) HTR6KDM4ECYP3A4HPGDHSD17B10
SCHEMBL20434628 0.81 EDNRA (0.43) CYP1A2HIF1AEDNRACA2F2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2020-08-06 US disclosed
US-10457639-B2 Fluorescent regulators of RASSF1A expression and human cancer cell proliferation GEORGETOWN UNIVERSITY (US) 2019-10-29 US disclosed
US-10457639-B2 Fluorescent regulators of RASSF1A expression and human cancer cell proliferation GEORGETOWN UNIVERSITY (US) 2019-10-29 US disclosed
US-10266490-B2 Radioprotector compounds GEORGETOWN UNIVERSITY (US) 2019-04-23 US disclosed
US-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2019-03-14 US disclosed
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2019-01-08 US disclosed
US-20180215712-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2018-08-02 US disclosed
WO-2017023916-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2017-02-09 WO disclosed
US-20150044293-A1 RADIOPROTECTOR COMPOUNDS GEORGETOWN UNIVERSITY (US) 2015-02-12 US disclosed
US-20150044293-A1 RADIOPROTECTOR COMPOUNDS GEORGETOWN UNIVERSITY (US) 2015-02-12 US disclosed
WO-2013138600-A1 RADIOPROTECTOR COMPOUNDS ROSEN ELIOT M (US) 2013-09-19 WO disclosed
EP-2484666-A1 Fluorescent regulators of RASSF1A expression and human cancer cell proliferation Georgetown University (US) 2012-08-08 EP disclosed
EP-2484666-A1 Fluorescent regulators of RASSF1A expression and human cancer cell proliferation Georgetown University (US) 2012-08-08 EP disclosed
EP-2323982-B1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION UNIV GEORGETOWN (US) 2012-02-29 EP disclosed
EP-2323982-B1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION UNIV GEORGETOWN (US) 2012-02-29 EP disclosed
US-20110152339-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION GEORGETOWN UNIVERSITY 2011-06-23 US disclosed
US-20110152339-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION GEORGETOWN UNIVERSITY 2011-06-23 US disclosed
EP-2323982-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION Georgetown University (US) 2011-05-25 EP disclosed
WO-2010019271-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION GEORGETOWN UNIVERSITY (US) 2010-02-18 WO disclosed
WO-2010019271-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION GEORGETOWN UNIVERSITY (US) 2010-02-18 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 (8 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-20180215712-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT DYRK1A 2487/4885HTR6 1986/4885ACHE 4683/4885
US-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT DYRK1A 2487/4885HTR6 1986/4885ACHE 4683/4885
US-20110152339-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION RASSF5, RASSF2, MKI67 DYRK1A 2619/4885HTR6 3402/4885ACHE 4748/4885
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT DYRK1A 2487/4885HTR6 1986/4885ACHE 4683/4885
US-10266490-B2 Radioprotector compounds DDB1, CASP3, BAD DYRK1A 2038/4885HTR6 4225/4885ACHE 4295/4885
US-20150044293-A1 RADIOPROTECTOR COMPOUNDS DDB1, CASP3, BAD DYRK1A 2038/4885HTR6 4225/4885ACHE 4295/4885
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof AR, KLK3, BRDT DYRK1A 2487/4885HTR6 1986/4885ACHE 4683/4885
US-10457639-B2 Fluorescent regulators of RASSF1A expression and human cancer cell proliferation RASSF5, RASSF2, MKI67 DYRK1A 2619/4885HTR6 3402/4885ACHE 4748/4885

“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.