SCHEMBL403826

SCHEMBL403826

CC(C)(C)ON(C=O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
PYCR1 P32322 1/20 0.40
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP19A1 P11511 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MMP3 P08254 1/20 0.36
ABCC4 O15439 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
PTGS1 P23219 1/20 0.36
HTT P42858 1/20 0.36
IDO1 P14902 1/20 0.36
AGXT P21549 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
SCHEMBL7763429 0.90 MEN1 (0.41) LMNATSHRHTT
SCHEMBL404392 0.82 FDPS (0.42)
SCHEMBL5780510 0.81 ALDH1A1 (0.38) LMNA
SCHEMBL643420 0.81 MAPT (0.38) CYP19A1TSHR
SCHEMBL5662615 0.81 LOXL2 (0.35) HRH3
SCHEMBL11503093 0.80 RXRA (0.41) ABCC4LMNAGAATSHRPTGS1
SCHEMBL6370660 0.78 MEN1 (0.32) HTT
SCHEMBL13685302 0.77 LPL (0.41)
SCHEMBL6370318 0.77 L3MBTL1 (0.43) LMNAHTT
SCHEMBL6376616 0.76 PPARA (0.44) ALOX5LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220202786-A1 METHODS FOR TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2022-06-30 US disclosed
US-11202775-B2 Methods for treatment of cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2021-12-21 US disclosed
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR NOVARTIS AG (CH) 2019-05-09 US disclosed
US-9452994-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-09-27 US disclosed
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES FLUBACHER DIETMAR (DE) 2016-09-01 US disclosed
EP-2214485-B1 METHODS FOR TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORP (US) 2016-07-20 EP disclosed
EP-3040333-A1 CRYSTALLINE FORMS OF 5-(2,6-DI-4-MORPHOLINYL-4-PYRIDMIDINYL)-4-TRIFLUOROMETHYLPYRIDIN-2-AMINE, A PIK3 INHIBITOR Novartis AG (CH) 2016-07-06 EP disclosed
US-9359326-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-06-07 US disclosed
US-9181215-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2015-11-10 US disclosed
US-20150232446-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2015-08-20 US disclosed
WO-2004111058-A1 HETERORYL-FUSED PYRIMIDINYL COMPOUNDS AS ANTICANCER AGENTS CHIRON CORPORATION (US) 2004-12-23 WO disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 US disclosed
WO-2004092360-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2004-10-28 WO disclosed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 WO disclosed
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2004-09-09 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 WO disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US disclosed
WO-2004048365-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2004-06-10 WO disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 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 (9 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF TAAR1 4433/4885PYCR1 3623/4885MME 4110/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF TAAR1 4151/4885PYCR1 2713/4885MME 4105/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 TAAR1 4718/4885PYCR1 647/4885MME 672/4885
US-11202775-B2 Methods for treatment of cancer TP53, TOP2B, BRCA1 TAAR1 4521/4885PYCR1 3504/4885MME 890/4885
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 TAAR1 4805/4885PYCR1 4483/4885MME 3298/4885
US-20150232446-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 TAAR1 2398/4885PYCR1 2688/4885MME 3547/4885
US-20220202786-A1 METHODS FOR TREATMENT OF CANCER TP53, TOP2B, BRCA1 TAAR1 4521/4885PYCR1 3504/4885MME 890/4885
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 TAAR1 4705/4885PYCR1 2892/4885MME 3699/4885
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 TAAR1 2398/4885PYCR1 2688/4885MME 3547/4885

“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.