SCHEMBL20204738

SCHEMBL20204738

CCc1cnc(Cc2c[nH]c3ccccc23)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GPR84 Q9NQS5 2/20 0.49
MAPT P10636 2/20 0.49
CYP3A4 P08684 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR2A P28223 4/20 0.45
HTR1A P08908 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
HTR6 P50406 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KRAS P01116 1/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MPO P05164 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
SCHEMBL20204665 0.91 AHR (0.55) AHRKMT2AMEN1GPR84MAPT
SCHEMBL20204741 0.86 MEN1 (0.57) AHRKMT2AMEN1GPR84MAPT
SCHEMBL20204872 0.84 MEN1 (0.57) AHRKMT2AMEN1GPR84MAPT
SCHEMBL21707860 0.82 AHR (0.48) AHRKMT2AMEN1GPR84MAPT
SCHEMBL21707861 0.77 CAPN1 (0.61) AHRKMT2AMEN1GPR84MAPT
SCHEMBL20204635 0.76 CAPN1 (0.48) AHRKMT2AMEN1GPR84MAPT
SCHEMBL23886056 0.76 CAPN1 (0.55) KDM4EALDH1A1HTTHTR2CHPGD
SCHEMBL1903251 0.74 KDM4E (0.61) AHRKMT2AMEN1GPR84MAPT
SCHEMBL7518417 0.73 GPR84 (0.50) AHRKMT2AMEN1GPR84MAPT
SCHEMBL29413080 0.72 MEN1 (0.69) AHRKMT2AMEN1GPR84MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124498-B2 Compositions and methods for modulating protease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 US disclosed
WO-2018097999-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-31 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-11124498-B2 Compositions and methods for modulating protease activity RNASE1, ADAM8, CTRL AHR 3157/4885KMT2A 3092/4885MEN1 3690/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL AHR 3157/4885KMT2A 3092/4885MEN1 3690/4885

“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.