SCHEMBL22229487

SCHEMBL22229487

OC(c1cnc2ccccc2c1)c1ncc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.41
KDR P35968 2/20 0.40
CYP2D6 P10635 4/20 0.40
CYP3A4 P08684 4/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
ALPL P05186 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
S1PR3 Q99500 2/20 0.39
CYP1A2 P05177 1/20 0.38
MGAM O43451 1/20 0.38
KCNH2 Q12809 1/20 0.38
NQO1 P15559 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
S1PR1 P21453 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL22229537 0.83 TRPM8 (0.41) CHEK2KDRCYP2D6CYP3A4SLC6A2
SCHEMBL14033741 0.80 CHEK2 (0.49) CHEK2CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL22229498 0.75 BIRC5 (0.41) CHEK2KDRCYP2D6CYP3A4SLC6A2
SCHEMBL438735 0.75 CYP1A2 (0.57) KDRCYP2D6ALPLMEN1KMT2A
SCHEMBL22229514 0.74 CYP3A4 (0.50) CHEK2KDRCYP2D6CYP3A4SLC6A2
SCHEMBL22229523 0.74 EGFR (0.41) CHEK2KDRCYP2D6CYP3A4SLC6A2
SCHEMBL372349 0.73 CYP1A2 (0.52) CHEK2KDRCYP1A2MGAMNQO1
SCHEMBL22229535 0.73 MGAM (0.42) CHEK2CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL2306728 0.73 CYP1A2 (0.55) KDRCYP2D6ALPLMEN1KMT2A
SCHEMBL22229517 0.72 NQO1 (0.39) CHEK2CYP2D6CYP3A4SLC6A2SLC6A4

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 2092/4885KDR 4611/4885CYP2D6 596/4885

“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.