SCHEMBL779875

SCHEMBL779875

CONC(=O)Nc1cc[c]cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 3/20 0.50
TP53 P04637 4/20 0.45
KMT2A Q03164 4/20 0.44
LMNA P02545 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
ESR2 Q92731 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
MDM2 Q00987 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.40

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
SCHEMBL778090 0.80 RAB9A (0.42) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL1419259 0.80 NPC1 (0.42) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL11413702 0.80 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL6208837 0.78 RAB9A (0.57) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL4243274 0.78 RAB9A (0.69) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL13925101 0.78 RAB9A (0.63) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL22096914 0.78 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL1196294 0.78 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2NPC1KMT2ALMNA
SCHEMBL745458 0.78 ALDH1A1 (0.59) RAB9ASMN1; SMN2NPC1TP53KMT2A
Hydrochloric Acid SCHEMBL3801257 0.77 RAB9A (0.67) RAB9ASMN1; SMN2NPC1TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101868-B2 Substituted arylamine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US claimed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US claimed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP claimed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US claimed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO claimed
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
EP-2165830-B1 Lithographic printing plate precursor and printing method using the same FUJIFILM CORP (JP) 2011-03-16 EP 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-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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 (7 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 RAB9A 2834/4885SMN1; SMN2 1790/4885NPC1 2132/4885
US-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RAB9A 2797/4885SMN1; SMN2 2424/4885NPC1 614/4885
US-20120071486-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 RAB9A 4066/4885SMN1; SMN2 4442/4885NPC1 3957/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RAB9A 2797/4885SMN1; SMN2 2424/4885NPC1 614/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RAB9A 2797/4885SMN1; SMN2 2424/4885NPC1 614/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR RAB9A 2797/4885SMN1; SMN2 2424/4885NPC1 614/4885
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 RAB9A 4066/4885SMN1; SMN2 4442/4885NPC1 3957/4885

“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.