SCHEMBL22229494

SCHEMBL22229494

OC(c1cnc2ccccc2c1)c1cc(Br)sc1Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.38
BIRC5 O15392 1/20 0.38
CYP1A2 P05177 1/20 0.37
MGAM O43451 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NQO1 P15559 1/20 0.36
PDGFRB P09619 3/20 0.35
PDGFRA P16234 3/20 0.35
OGA O60502 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDR P35968 1/20 0.33
ACP1 P24666 1/20 0.33
RAB9A P51151 1/20 0.33
EGFR P00533 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 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
SCHEMBL7245487 0.77 CYP1A2 (0.43) CHEK2BIRC5CYP1A2MGAMNPSR1
SCHEMBL22229532 0.77 NQO1 (0.39) CHEK2BIRC5CYP1A2MGAMNPSR1
SCHEMBL22229492 0.77 EGFR (0.39) CHEK2CYP1A2MGAMNPSR1NQO1
SCHEMBL1110021 0.74 CHEK2 (0.43) CHEK2CYP1A2MGAMNPSR1NQO1
SCHEMBL22229539 0.73 CHEK2 (0.38) CHEK2BIRC5CYP1A2MGAMNPSR1
SCHEMBL28014632 0.73 CYP1A2 (0.48) CHEK2BIRC5CYP1A2MGAMNPSR1
SCHEMBL372349 0.72 CYP1A2 (0.52) CHEK2BIRC5CYP1A2MGAMNPSR1
SCHEMBL22229510 0.71 TRPM8 (0.41) CHEK2BIRC5CYP1A2MGAMNQO1
SCHEMBL22229517 0.71 NQO1 (0.39) CHEK2CYP1A2MGAMNPSR1NQO1
SCHEMBL22229498 0.71 BIRC5 (0.41) CHEK2BIRC5CYP1A2MGAMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231607-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-07-23 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 (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 CHEK2 2092/4885BIRC5 1346/4885CYP1A2 47/4885

“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.