SCHEMBL20550997

SCHEMBL20550997

Cc1nc(Cl)nc(Sc2nc3ccccc3nc2N)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.31
NUDT1 P36639 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL22229495 0.68 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10MAPTKDM4E
SCHEMBL20550657 0.68 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10MAPTKDM4E
SCHEMBL11775855 0.67 LMNA (0.52) ALDH1A1TLR8NR1I2AHRLMNA
SCHEMBL30696400 0.67 LMNA (0.52) ALDH1A1TLR8NR1I2AHRLMNA
SCHEMBL29444102 0.65 MAPT (1.00) ALDH1A1HPGDHSD17B10MAPTKDM4E
SCHEMBL503252 0.65 MAPT (1.00) ALDH1A1HPGDHSD17B10MAPTKDM4E
SCHEMBL30939014 0.63 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10MAPTKDM4E
SCHEMBL12543710 0.63 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10MAPTKDM4E
SCHEMBL4597901 0.62 LMNA (0.42) ALDH1A1NR1I2AHRLMNAMEN1
SCHEMBL11668050 0.60 MAOA (0.59) ALDH1A1HPGDHSD17B10MAPTKDM4E

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-20200231607-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-07-23 US disclosed
EP-3618632-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES Bayer Aktiengesellschaft (DE) 2020-03-11 EP disclosed
WO-2018202706-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2018-11-08 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 (1 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-20200231607-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES PIK3C3, ERG28, DDT ALDH1A1 3448/4885HPGD 3577/4885HSD17B10 2000/4885

“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.