SCHEMBL20550657

SCHEMBL20550657

Nc1nc2ccccc2nc1Sc1ncccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
BACE1 P56817 1/20 0.33
CYP3A4 P08684 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PTPN11 Q06124 1/20 0.33
TGFBR1 P36897 1/20 0.33
GRM5 P41594 1/20 0.33
KCNH2 Q12809 1/20 0.33

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 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL28723308 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL15924869 0.71 SMN1; SMN2 (0.45) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL20550997 0.68 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL102167 0.65
SCHEMBL29907224 0.65
SCHEMBL2983304 0.64
SCHEMBL29444102 0.64 MAPT (1.00) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL503252 0.64 MAPT (1.00) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL31395309 0.64 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDGAA

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 3448/4885KDM4E 416/4885MAPT 3173/4885

“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.