SCHEMBL778674

SCHEMBL778674

CC(=O)N(C)Oc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 0.41
MAPK1 P28482 2/20 0.41
PARP10 Q53GL7 1/20 0.41
ALDH1A1 P00352 6/20 0.41
CYP3A4 P08684 5/20 0.40
TSHR P16473 4/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
RAB9A P51151 2/20 0.38
TEAD4 Q15561 1/20 0.38
CYP19A1 P11511 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
MAOA P21397 1/20 0.36
NPC1 O15118 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL2858347 0.79 TSPO (0.49) TDP1ALDH1A1TSHRRAB9AALOX15
SCHEMBL4053407 0.76 TSHR (0.42) TDP1MAPK1PARP10ALDH1A1CYP3A4
SCHEMBL28291528 0.75 TDP1 (0.48) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL15653624 0.74 RAB9A (0.43) PARP10ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL222240 0.70 LMNA (0.64) TDP1MAPK1PARP10ALDH1A1CYP3A4
Acetone SCHEMBL28494026 0.69 MAPT (0.57) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL9203037 0.69 RAB9A (0.79) MAPK1ALDH1A1TSHRRAB9ALMNA
SCHEMBL15651916 0.69 CCNC (0.47) TDP1TSHRPHLPP2GAA
SCHEMBL23028898 0.69 RAB9A (0.45) TDP1MAPK1ALDH1A1RAB9AMAPT
SCHEMBL11456568 0.68 LMNA (0.61) TDP1MAPK1PARP10ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-7569570-B2 Thienopyrimidines, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-04 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-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
US-20050222174-A1 Thienopyrimidines, process for preparing the same and use thereof TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-10-06 US disclosed
EP-1479684-A1 THIENOPYRIMIDINES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-11-24 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 TDP1 1571/4885MAPK1 907/4885PARP10 2426/4885
US-20120071486-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 TDP1 1497/4885MAPK1 2016/4885PARP10 1070/4885
US-20050222174-A1 Thienopyrimidines, process for preparing the same and use thereof GNRHR, CRH, CYP19A1 TDP1 2906/4885MAPK1 1471/4885PARP10 178/4885
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 TDP1 1571/4885MAPK1 907/4885PARP10 2426/4885
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 TDP1 1497/4885MAPK1 2016/4885PARP10 1070/4885

“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.