SCHEMBL21798992

SCHEMBL21798992

COC(=O)c1cc(-c2cccc(C#N)c2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.50
SLC22A12 Q96S37 1/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CFTR P13569 1/20 0.46
IKBKB O14920 2/20 0.45
CHUK O15111 1/20 0.45
PLAU P00749 1/20 0.45
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PGR P06401 2/20 0.43
ADAMTS4 O75173 1/20 0.43

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
SCHEMBL21798988 0.87 KDM4E (0.51) XDHALDH1A1KDM4EHSD17B10GAA
SCHEMBL31750061 0.86 IKBKB (0.46) XDHSLC22A12ALDH1A1KDM4EHSD17B10
SCHEMBL27245988 0.85 XDH (0.58) XDHSLC22A12TSHRIKBKBCHUK
SCHEMBL4842734 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL7529190 0.82 KDM4E (0.66) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL7667011 0.82 XDH (0.48) XDHSLC22A12IKBKBCHUKPLAU
SCHEMBL3139410 0.81 SLC22A12 (0.53) XDHSLC22A12ALDH1A1HSD17B10TSHR
SCHEMBL421466 0.81 IKBKB (0.65) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL13525215 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL6659038 0.80 PLAU (0.60) XDHSLC22A12PLAUPGRADAMTS4

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 XDH 802/4885SLC22A12 4521/4885ALDH1A1 2104/4885

“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.