SCHEMBL106664

SCHEMBL106664

CC(C)(C)OC(=O)ON1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
HPGD P15428 1/20 0.33
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CHKA P35790 1/20 0.31
MAPK1 P28482 1/20 0.31
PARP1 P09874 1/20 0.31
CTSK P43235 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
NR1H2 P55055 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL16673827 0.93 CA2 (0.32) USP2SMN1; SMN2SIGMAR1CA2CHKA
SCHEMBL6203142 0.93 CA2 (0.35) USP2SMN1; SMN2SIGMAR1HPGDCA2
SCHEMBL4046200 0.84 L3MBTL3 (0.33) SMN1; SMN2HPGDPARP1CHRNB2CHRNA3
SCHEMBL4594886 0.83 GNAI3 (0.38)
SCHEMBL11889891 0.83 CYP1A2 (0.41)
SCHEMBL4658596 0.82 CHRM2 (0.33) SIGMAR1HPGDCHRNB2CHRNA3CHRNA4
SCHEMBL4434089 0.82 HPGD (0.39) USP2SMN1; SMN2HPGDCTSKELANE
SCHEMBL5875153 0.81 CA2 (0.41) SIGMAR1CA2CA12CA1CA9
SCHEMBL4657727 0.81
SCHEMBL2373613 0.80 HPGD (0.41) USP2SMN1; SMN2HPGDCTSKELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521722-B1 PROCESS FOR MAKING A METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATOR - 874 ASTRAZENECA AB (SE) 2015-05-06 EP claimed
CN-109311863-B Mutant IDH1 inhibitors 伊莱利利公司 2021-10-29 CN disclosed
EP-2473486-B2 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2021-09-22 EP disclosed
EP-3464281-B1 MUTANT IDH1 INHIBITORS LILLY CO ELI (US) 2020-07-08 EP disclosed
US-10696665-B2 Mutant IDH1 inhibitors ELI LILLY AND COMPANY (US) 2020-06-30 US disclosed
CN-107849059-B 7-phenylethylamino-4H-pyrimido [4,5-D ] [1,3] oxazin-2-one compounds and their use as inhibitors of mutant IDH1 伊莱利利公司 2020-04-28 CN disclosed
EP-3328866-B1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIT USE AS MUTANT IDH1 INHIBITORS LILLY CO ELI (US) 2019-10-30 EP disclosed
US-20190292175-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY 2019-09-26 US disclosed
US-10253041-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds and their use as mutant IDH1 inhibitors ELI LILLY AND COMPANY (US) 2019-04-09 US disclosed
EP-3328866-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIT USE AS MUTANT IDH1 INHIBITORS Eli Lilly and Company (US) 2018-06-06 EP disclosed
WO-2000041697-A1 UTILISATION OF 2-SUBSTITUTED 1,2-BENZISOTHIAZOLE DERIVATIVES AND 3-SUBSTITUTED TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVES FOR THE PROPHYLAXIS AND THERAPY OF CEREBRAL ISCHAEMIA BASF AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed
WO-2000041695-A1 UTILIZATION OF PYRIMIDINE DERIVATIVES FOR PREVENTING AND TREATING CEREBRAL ISCHAEMIA BASF AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed
EP-1003752-A1 3-SUBSTITUTED 3,4,5,7-TETRAHYDRO-PYRROLO3',4':4,5 THIENO2,3-DPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS 5HT ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2000-05-31 EP disclosed
WO-1999040083-A2 BIFUNCTIONAL TRYPTASE INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1999-08-12 WO disclosed
WO-1999040073-A2 TRYPTASE INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1999-08-12 WO disclosed
EP-0927184-A1 3-SUBSTITUTED PYRIDO 4',3':4,5]THIENO 2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1999-07-07 EP disclosed
WO-1999021857-A1 3-SUBSTITUTED TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVES, METHOD FOR PRODUCING THE SAME, AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1999-05-06 WO disclosed
WO-1999020616-A1 2-SUBSTITUTED 1,2-BENZISOTHIAZOLE DERIVATIVES AND THEIR USE AS SEROTONIN ANTAGONISTS (5-HT1A, 5-HT1B AND 5-HT1D) BASF AKTIENGESELLSCHAFT (DE) 1999-04-29 WO disclosed
WO-1999007711-A1 3-SUBSTITUTED 3,4,5,7-TETRAHYDRO-PYRROLO3',4':4,5 THIENO2,3-DPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS 5HT ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1999-02-18 WO disclosed
WO-1998011110-A1 3-SUBSTITUTED PYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-03-19 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 (3 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-10696665-B2 Mutant IDH1 inhibitors IDH1, IDH3B, IDH3A USP2 1850/4885SMN1; SMN2 1388/4885SIGMAR1 4558/4885
US-20190292175-A1 MUTANT IDH1 INHIBITORS IDH1, IDH3B, IDH3A USP2 1850/4885SMN1; SMN2 1388/4885SIGMAR1 4558/4885
US-10253041-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds and their use as mutant IDH1 inhibitors IDH1, IDH3A, IDH3B USP2 2474/4885SMN1; SMN2 1973/4885SIGMAR1 3698/4885

“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.