SCHEMBL13853265

SCHEMBL13853265

OB(O)c1ncnc2nc(C(F)(F)F)ccc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 3/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
NR2F2 P24468 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
HTT P42858 1/20 0.30
CA2 P00918 1/20 0.30
CHKA P35790 1/20 0.30

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
SCHEMBL4195175 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL13853252 0.75 PDE4A (0.36) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL13853257 0.75 ADK (0.44) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL5264672 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL13853282 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL5262734 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL15267989 0.74 MAT2A (0.42) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL13853272 0.73 PDE4B (0.39) ALDH1A1KDM4EKMT2ATRPV1
SCHEMBL13853267 0.73 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL13853256 0.72 ALDH1A1 (0.35) ALDH1A1KDM4EKMT2AGAAMAPT

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 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-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK ALDH1A1 290/4885KDM4E 376/4885KMT2A 3107/4885

“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.