SCHEMBL19898733

SCHEMBL19898733

COC(=O)C1CCCC(CNC(=O)OCc2ccccc2)N1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
ALDH1A1 P00352 2/20 0.47
FKBP1A P62942 5/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CPB1 P15086 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 2/20 0.43
PREP P48147 1/20 0.43
MITF O75030 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRCP P42785 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL19910781 1.00 HTR2C (0.47) HTR2CALDH1A1FKBP1ATSHRCYP3A4
SCHEMBL19898539 1.00 HTR2C (0.47) HTR2CALDH1A1FKBP1ATSHRCYP3A4
SCHEMBL6627266 0.85 PREP (0.48) HTR2CALDH1A1FKBP1ATSHRCYP3A4
SCHEMBL19898838 0.84 HTR2C (0.48) HTR2CALDH1A1TSHRMEN1KMT2A
SCHEMBL19910780 0.84 HTR2C (0.48) HTR2CALDH1A1TSHRMEN1KMT2A
SCHEMBL6625440 0.84 FKBP1A (0.47) HTR2CALDH1A1FKBP1ATSHRCYP3A4
SCHEMBL15436131 0.83 FKBP1A (0.45) HTR2CFKBP1ATSHRMEN1KMT2A
SCHEMBL6625918 0.83 FKBP1A (0.52) HTR2CALDH1A1FKBP1ATSHRCYP3A4
SCHEMBL6625451 0.83 FKBP1A (0.46) HTR2CALDH1A1FKBP1ATSHRCYP3A4
SCHEMBL6628463 0.82 FKBP1A (0.51) HTR2CALDH1A1FKBP1ATSHRCYP3A4

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 HTR2C 2931/4885ALDH1A1 3677/4885FKBP1A 377/4885
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF BTK, SYK, LCK HTR2C 2931/4885ALDH1A1 3677/4885FKBP1A 377/4885

“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.