SCHEMBL22260475

SCHEMBL22260475

CCCCCCC(CCCCC)c1ccnc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
SLC2A1 P11166 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
ADA P00813 2/20 0.33
TBXAS1 P24557 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
BDKRB2 P30411 1/20 0.32

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
SCHEMBL22260647 0.86 GPR84 (0.37) NR1I2LOXL2SLC2A1GPR84ADA
SCHEMBL22299579 0.84 LOXL2 (0.36) NR1I2LOXL2SLC2A1GPR84ADA
SCHEMBL174988 0.83 NR1I2 (0.39) NR1I2SLC2A1GPR84ADATBXAS1
SCHEMBL25150378 0.82 UHRF1 (0.38) NR1I2SLC2A1GPR84ADATBXAS1
SCHEMBL3443064 0.81 NOS3 (0.43) NR1I2SLC2A1GPR84ADAKDM4E
SCHEMBL22458264 0.81 NR1I2 (0.37) NR1I2LOXL2SLC2A1GPR84ADA
SCHEMBL3443825 0.81 AR (0.38) NR1I2SLC2A1GPR84ADATBXAS1
SCHEMBL19304419 0.80 LOXL2 (0.41) NR1I2LOXL2SLC2A1GPR84KDM4E
SCHEMBL18948475 0.80 LOXL2 (0.41) NR1I2LOXL2SLC2A1GPR84KDM4E
SCHEMBL20372917 0.80 LOXL2 (0.38) LOXL2

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 NR1I2 3733/4885LOXL2 3378/4885SLC2A1 4241/4885

“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.