SCHEMBL19898205

SCHEMBL19898205

CC([C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CO1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 4/20 0.41
EPHX2 P34913 1/20 0.40
BRD4 O60885 2/20 0.38
KCNA3 P22001 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
BTK Q06187 2/20 0.38
NAMPT P43490 1/20 0.37
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
GAA P10253 1/20 0.36
DRD3 P35462 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
SCHEMBL19898203 1.00 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL19898071 0.85 TP53 (0.41) KMT2AGAA
SCHEMBL19898073 0.85 TP53 (0.41) KMT2AGAA
SCHEMBL30772788 0.77 CYP2C9 (0.48) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL19898547 0.77 CYP2C9 (0.48) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL19898523 0.75 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL13469204 0.75 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL19898168 0.75 BTK (0.44) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL12525131 0.75 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL19898171 0.75 BTK (0.44) KDM1AMAOBKMT2AL3MBTL1DRD2

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 2 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-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 KDM1A 1485/4885MAOB 1170/4885KMT2A 2325/4885
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF BTK, SYK, LCK KDM1A 1485/4885MAOB 1170/4885KMT2A 2325/4885

“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.