SCHEMBL21798951

SCHEMBL21798951

O=C(NC1CCC(C(=O)O)CC1)c1cccn2c(=O)c3cc(Br)ccc3nc12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
KMT2A Q03164 2/20 0.70
MEN1 O00255 1/20 0.70
POLR1A O95602 10/20 0.58
CASP1 P29466 2/20 0.57
CASP7 P55210 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALOX15 P16050 1/20 0.57
KDM4E B2RXH2 4/20 0.52
HPGD P15428 2/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
KCNH2 Q12809 2/20 0.49
CYP1A2 P05177 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR55 Q9Y2T6 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
SCHEMBL21798952 1.00 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL21836076 0.91 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL21798969 0.91 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL21798970 0.91 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL21836072 0.90 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL21993198 0.90 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL21798990 0.89 POLR1A (0.59) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL21798899 0.89 POLR1A (0.58) ALDH1A1KMT2AMEN1POLR1AKCNH2
SCHEMBL21798874 0.89 POLR1A (0.58) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL21798918 0.87 POLR1A (0.61) ALDH1A1KMT2AMEN1POLR1ACASP1

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 4 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 claimed
US-20200079773-A1 CARBOXYLIC ACID DERIVATIVES OF PYRIDOQUINAZOLINES USEFUL AS PROTEIN KINASE INHIBITORS ONCOSTELLAE, S.L. (ES) 2020-03-12 US claimed
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 2104/4885KMT2A 1192/4885MEN1 3659/4885

“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.