SCHEMBL13853282

SCHEMBL13853282

Cc1ncnc2nc(C(F)(F)F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 4/20 0.38
MAPT P10636 3/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KCNH2 Q12809 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
CXCR4 P61073 1/20 0.34
PDE4B Q07343 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
MAT2A P31153 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
SCHEMBL13853257 0.79 ADK (0.44) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL4195175 0.79 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL5264672 0.79 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL13853252 0.79 PDE4A (0.36) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL15267989 0.78 MAT2A (0.42) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL13230445 0.76 CDK2 (0.42) LMNASMN1; SMN2RAB9A
SCHEMBL10078334 0.75 KMT2A (0.41) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL31663137 0.75 KMT2A (0.41) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL5262734 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL13853262 0.75 MAT2A (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.