SCHEMBL19898535

SCHEMBL19898535

CC(C)(C)OC(=O)N1CC(N)CCC1CO

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
SRC P12931 8/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL1085466 0.86 NR1H2 (0.48) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL29100351 0.86 NR1H2 (0.48) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL8065917 0.86 NR1H2 (0.48) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL3725714 0.86 NR1H2 (0.48) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL8070913 0.86 NR1H2 (0.48) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL2254798 0.86 NR1H2 (0.48) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL2078108 0.85 NR1H2 (0.35) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL2078104 0.85 NR1H2 (0.35) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL2078105 0.85 NR1H2 (0.35) NR1H2CHRM2CHRM1CHRM3HSD17B10
Hydrochloric Acid SCHEMBL25216485 0.85 NR1H2 (0.47) NR1H2SRCCHRM2CHRM1CHRM3

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
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

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 NR1H2 3490/4885SRC 10/4885CHRM2 3780/4885
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF BTK, SYK, LCK NR1H2 3490/4885SRC 10/4885CHRM2 3780/4885

“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.