SCHEMBL779949

SCHEMBL779949

COC(C)(C)c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 4/20 0.50
MAPK1 P28482 3/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 5/20 0.44
CYP3A4 P08684 5/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KIF11 P52732 1/20 0.39
ACHE P22303 1/20 0.38
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.36
NR4A1 P22736 1/20 0.35
APP P05067 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL43313 0.87 MAPK1 (0.46) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL18824888 0.81 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL4188808 0.79 KIF11 (0.41) ALDH1A1MAPK1KIF11ALOX15
SCHEMBL18253223 0.79 TSHR (0.50) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL1172625 0.78 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL28329682 0.78 ALDH1A1 (0.60) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL10447173 0.77 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL9508337 0.77 TSHR (0.55) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL17306153 0.76 CYP2D6 (0.44) ALDH1A1MAPK1RAB9ANPC1HPGD
SCHEMBL23113609 0.75 HSD17B10 (0.41) ALDH1A1MAPTMAPK1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115697993-B Pyrimidine compounds as AXL inhibitors 南京正大天晴制药有限公司 2024-12-10 CN disclosed
EP-3628044-B1 PYRROLO[2,3-C]PYRIDINES AND RELATED ANALOGS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2023-11-22 EP disclosed
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-07-20 US disclosed
EP-4163278-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR Nanjing Chia Tai Tianqing Pharmaceutical Co., Ltd. (CN) 2023-04-12 EP disclosed
CN-115697993-A Pyrimidines as AXL inhibitors 南京正大天晴制药有限公司 2023-02-03 CN disclosed
WO-2021239133-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR 南京正大天晴制药有限公司 2021-12-02 WO disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 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
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 (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 ALDH1A1 2600/4885MAPT 4837/4885MAPK1 907/4885
US-20050222174-A1 Thienopyrimidines, process for preparing the same and use thereof GNRHR, CRH, CYP19A1 ALDH1A1 2092/4885MAPT 4799/4885MAPK1 1471/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 4333/4885MAPT 470/4885MAPK1 309/4885
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR AXL, FLT3, TYMP ALDH1A1 2696/4885MAPT 2663/4885MAPK1 293/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885MAPT 438/4885MAPK1 280/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885MAPT 438/4885MAPK1 280/4885
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 ALDH1A1 2600/4885MAPT 4837/4885MAPK1 907/4885

“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.