SCHEMBL778767

SCHEMBL778767

CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCc2ccccn2)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.84
KCNH2 Q12809 10/20 0.82

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
SCHEMBL778623 0.94 GNRHR (0.88) GNRHRKCNH2
SCHEMBL779729 0.91 GNRHR (1.00) GNRHR
SCHEMBL779935 0.91 GNRHR (0.89) GNRHRKCNH2
SCHEMBL778447 0.90 GNRHR (0.93) GNRHRKCNH2
SCHEMBL779798 0.90 GNRHR (1.00) GNRHRKCNH2
SCHEMBL780496 0.90 GNRHR (0.92) GNRHRKCNH2
SCHEMBL778895 0.89 GNRHR (0.85) GNRHRKCNH2
SCHEMBL777759 0.89 GNRHR (0.87) GNRHRKCNH2
Relugolix SCHEMBL778416 0.88 GNRHR (1.00) GNRHRKCNH2
Relugolix SCHEMBL29386968 0.88 GNRHR (1.00) GNRHRKCNH2

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-20220117969-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ADENOMYOSIS AND RECTOVAGINAL ENDOMETRIOSIS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2022-04-21 US disclosed
US-9346822-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-9346822-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-07 US disclosed
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-07 US disclosed
US-8735401-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-27 US disclosed
US-8735401-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-27 US disclosed
EP-1591446-B1 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL (JP) 2013-03-06 EP disclosed
US-20120071486-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
US-20120071486-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
US-8058280-B2 Substituted thieno[2,3-d]pyrimidin-2,4-dione compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-15 US disclosed
US-8058280-B2 Substituted thieno[2,3-d]pyrimidin-2,4-dione compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-15 US disclosed
US-20080108623-A1 N-(4-(1-(2,6-difluorobenzyl)-5(((2-methoxyethyl)(methyl)amino)methyl)-2,4-dioxo-3-(2-pyridinyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea; gonadotropin releasing hormone (GnRH) antagonist; sex hormone dependent disease, antitumor agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-08 US disclosed
US-20080108623-A1 N-(4-(1-(2,6-difluorobenzyl)-5(((2-methoxyethyl)(methyl)amino)methyl)-2,4-dioxo-3-(2-pyridinyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea; gonadotropin releasing hormone (GnRH) antagonist; sex hormone dependent disease, antitumor agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-08 US disclosed
US-20080108623-A1 N-(4-(1-(2,6-difluorobenzyl)-5(((2-methoxyethyl)(methyl)amino)methyl)-2,4-dioxo-3-(2-pyridinyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea; gonadotropin releasing hormone (GnRH) antagonist; sex hormone dependent disease, antitumor agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-08 US disclosed
US-7300935-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-11-27 US disclosed
US-7300935-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-11-27 US disclosed
US-7300935-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-11-27 US disclosed
US-20060160829-A1 N-(4-(1-(2,6-difluorobenzyl)-5(((2-methoxyethyl)(methyl)amino)methyl)-2,4-dioxo-3-(2-pyridinyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea; gonadotropin releasing hormone (GnRH) antagonist; sex hormone dependent disease, antitumor agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-20 US disclosed
EP-1591446-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2005-11-02 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 (5 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-20060160829-A1 N-(4-(1-(2,6-difluorobenzyl)-5(((2-methoxyethyl)(methyl)amino)methyl)-2,4-dioxo-3-(2-pyridinyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea; gonadotropin releasing hormone (GnRH) antagonist; sex hormone dependent disease, antitumor agent GNRHR, KISS1R, FSHR GNRHR 1/4885KCNH2 588/4885
US-20120071486-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 GNRHR 1/4885KCNH2 627/4885
US-20220117969-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ADENOMYOSIS AND RECTOVAGINAL ENDOMETRIOSIS GNRHR, PGR, NR5A1 GNRHR 1/4885KCNH2 2629/4885
US-20080108623-A1 N-(4-(1-(2,6-difluorobenzyl)-5(((2-methoxyethyl)(methyl)amino)methyl)-2,4-dioxo-3-(2-pyridinyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea; gonadotropin releasing hormone (GnRH) antagonist; sex hormone dependent disease, antitumor agent GNRHR, KISS1R, FSHR GNRHR 1/4885KCNH2 588/4885
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 GNRHR 1/4885KCNH2 627/4885

“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.