SCHEMBL21798893

SCHEMBL21798893

COC(=O)c1cc(-c2ccc(F)c(F)c2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 5/20 0.54
GAA P10253 4/20 0.54
HSD17B10 Q99714 3/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 2/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
CFTR P13569 4/20 0.49
ABL1 P00519 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GLA P06280 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
IKBKB O14920 2/20 0.43
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL7529190 0.88 KDM4E (0.66) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL21857203 0.88 ABL1 (0.59) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL1015993 0.86 KDM4E (0.55) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL29481401 0.86 KDM4E (0.55) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL14252247 0.85 SLC6A3 (0.45) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL29543806 0.84 KDM4E (0.54) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL4264458 0.83 ABL1 (0.61) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL11758709 0.82 KDM4E (0.72) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL21798946 0.82 ALDH1A1 (0.51) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL421466 0.81 IKBKB (0.65) KDM4EALDH1A1GAAHSD17B10MAPT

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 KDM4E 1110/4885ALDH1A1 2104/4885GAA 1112/4885

“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.