SCHEMBL21798946

SCHEMBL21798946

COC(=O)c1cc(-c2cccc(F)c2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 3/20 0.51
GAA P10253 3/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CFTR P13569 3/20 0.50
IKBKB O14920 2/20 0.48
TAAR1 Q96RJ0 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
RPS6KB1 P23443 1/20 0.45
CSNK1D P48730 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45

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
SCHEMBL29481401 0.86 KDM4E (0.55) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL1015993 0.86 KDM4E (0.55) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL7529190 0.86 KDM4E (0.66) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL29188757 0.85 SLC6A4 (0.49) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL29543806 0.85 KDM4E (0.54) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL421466 0.84 IKBKB (0.65) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL13525215 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL3876452 0.83 TAAR1 (0.51) KDM4EIKBKBTAAR1KMT2AGFER
SCHEMBL165608 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL21798893 0.82 KDM4E (0.54) ALDH1A1KDM4EHSD17B10GAAMAPT

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
EP-3632913-A1 CARBOXYLIC ACID DERIVATIVES OF PYRIDOQUINAZOLINES USEFUL AS PROTEIN KINASE INHIBITORS Oncostellae, S.L. (ES) 2020-04-08 EP disclosed
US-20200079773-A1 CARBOXYLIC ACID DERIVATIVES OF PYRIDOQUINAZOLINES USEFUL AS PROTEIN KINASE INHIBITORS ONCOSTELLAE, S.L. (ES) 2020-03-12 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-20200079773-A1 CARBOXYLIC ACID DERIVATIVES OF PYRIDOQUINAZOLINES USEFUL AS PROTEIN KINASE INHIBITORS MAP4K2, MAP3K1, MAP4K1 ALDH1A1 2104/4885KDM4E 1110/4885HSD17B10 3480/4885

“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.