SCHEMBL21798929

SCHEMBL21798929

O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1cccn2c(=O)c3cc(-c4ccncc4)ccc3nc12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 14/20 0.55
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
KCNH2 Q12809 3/20 0.46
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL21798914 1.00 POLR1A (0.55) POLR1AALDH1A1KMT2AMEN1KCNH2
SCHEMBL21798906 1.00 POLR1A (0.55) POLR1AALDH1A1KMT2AMEN1KCNH2
SCHEMBL21798944 0.94 POLR1A (0.60) POLR1AALDH1A1KMT2AMEN1KCNH2
SCHEMBL21798945 0.94 POLR1A (0.60) POLR1AALDH1A1KMT2AMEN1KCNH2
SCHEMBL21836087 0.92 POLR1A (0.58) POLR1AALDH1A1KMT2AMEN1KCNH2
SCHEMBL21798877 0.91 POLR1A (0.55) POLR1AALDH1A1KMT2AMEN1KCNH2
SCHEMBL21798879 0.91 POLR1A (0.55) POLR1AALDH1A1KMT2AMEN1KCNH2
SCHEMBL21798923 0.91 POLR1A (0.55) POLR1AALDH1A1KMT2AMEN1KCNH2
SCHEMBL21798935 0.91 POLR1A (0.55) POLR1AALDH1A1KMT2AMEN1KCNH2
SCHEMBL21836056 0.91 POLR1A (0.57) POLR1AALDH1A1KMT2AMEN1KCNH2

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 POLR1A 2100/4885ALDH1A1 2104/4885KMT2A 1192/4885

“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.