SCHEMBL19898547

SCHEMBL19898547

CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CN2C(=O)c3ccccc3C2=O)OC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD2 P14416 3/20 0.46
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
BTK Q06187 1/20 0.45
BRD4 O60885 2/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNA3 P22001 1/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL30772788 1.00 CYP2C9 (0.48) CYP2C9CYP1A2CYP2C19DRD2KDM1A
SCHEMBL27504591 0.84 DRD2 (0.60) DRD2KDM1AMAOBBRD4KMT2A
SCHEMBL7583988 0.84 DRD2 (0.60) DRD2KDM1AMAOBBRD4KMT2A
SCHEMBL5519650 0.82 DRD2 (0.55) DRD2KDM1AMAOBBTKBRD4
SCHEMBL5537816 0.82 DRD2 (0.55) DRD2KDM1AMAOBBTKBRD4
SCHEMBL16524042 0.78 KMT2A (0.52) DRD2KDM1AMAOBBTKBRD4
SCHEMBL19898203 0.77 KDM1A (0.45) DRD2KDM1AMAOBBTKBRD4
SCHEMBL19898205 0.77 KDM1A (0.45) DRD2KDM1AMAOBBTKBRD4
SCHEMBL30993286 0.76 KMT2A (0.47) CYP2C9CYP1A2CYP2C19DRD2KDM1A
SCHEMBL13652282 0.76 KCNA3 (0.60) DRD2KDM1ABRD4KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11020398-B2 Amino-pyrrolopyrimidinone compounds and methods of use thereof ARQULE, INC. (US) 2021-06-01 US disclosed
US-11020398-B2 Amino-pyrrolopyrimidinone compounds and methods of use thereof ARQULE, INC. (US) 2021-06-01 US disclosed
EP-3504213-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ArQule, Inc. (US) 2019-07-03 EP disclosed
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. 2018-03-01 US disclosed
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. 2018-03-01 US disclosed
WO-2018039310-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2018-03-01 WO disclosed
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. 2018-03-01 US 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 (2 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-11020398-B2 Amino-pyrrolopyrimidinone compounds and methods of use thereof BTK, SYK, LCK CYP2C9 1568/4885CYP1A2 2978/4885CYP2C19 847/4885
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF BTK, SYK, LCK CYP2C9 1568/4885CYP1A2 2978/4885CYP2C19 847/4885

“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.