SCHEMBL21798993

SCHEMBL21798993

O=C(O)c1cccn2c(=O)c3cc(Cl)ccc3nc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.69
CASP7 P55210 6/20 0.69
HSD17B10 Q99714 6/20 0.69
CASP1 P29466 5/20 0.69
ALDH1A1 P00352 10/20 0.69
HPGD P15428 7/20 0.69
GAA P10253 3/20 0.69
CYP2C9 P11712 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
GLA P06280 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP1A2 P05177 1/20 0.62
LMNA P02545 3/20 0.61
NPSR1 Q6W5P4 2/20 0.61
KMT2A Q03164 2/20 0.61
TSHR P16473 3/20 0.57
USP2 O75604 2/20 0.57
ALOX15 P16050 2/20 0.57
CYP3A4 P08684 1/20 0.57
PTGES O14684 1/20 0.49

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
SCHEMBL21798961 0.85 KDM4E (0.71) KDM4ECASP7HSD17B10CASP1ALDH1A1
SCHEMBL21798938 0.84 KDM4E (0.69) KDM4ECASP7HSD17B10CASP1ALDH1A1
SCHEMBL21798898 0.84 KDM4E (0.69) KDM4ECASP7HSD17B10CASP1ALDH1A1
SCHEMBL7498198 0.84 KDM4E (0.69) KDM4ECASP7HSD17B10CASP1ALDH1A1
SCHEMBL21798922 0.84 KDM4E (0.69) KDM4ECASP7HSD17B10CASP1ALDH1A1
SCHEMBL29649777 0.83 KDM4E (0.71) KDM4ECASP7HSD17B10CASP1ALDH1A1
SCHEMBL21798989 0.83 KDM4E (0.71) KDM4ECASP7HSD17B10CASP1ALDH1A1
SCHEMBL17099654 0.83 KDM4E (0.75) KDM4ECASP7HSD17B10CASP1ALDH1A1
SCHEMBL29646595 0.83 KDM4E (0.75) KDM4ECASP7HSD17B10CASP1ALDH1A1
SCHEMBL18631335 0.82 KDM4E (1.00) KDM4ECASP7HSD17B10CASP1ALDH1A1

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 1110/4885CASP7 1733/4885HSD17B10 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.