SCHEMBL21798920

SCHEMBL21798920

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 14/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 1/20 0.53
KCNH2 Q12809 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
ECE1 P42892 1/20 0.43
MUS81 Q96NY9 1/20 0.43
CYP1A2 P05177 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
SCHEMBL21798919 1.00 POLR1A (0.56) POLR1AKMT2AMEN1ALDH1A1KCNH2
SCHEMBL21836091 0.91 POLR1A (0.57) POLR1AKMT2AMEN1ALDH1A1KCNH2
SCHEMBL21798980 0.89 POLR1A (0.61) POLR1AKMT2AMEN1ALDH1A1KCNH2
SCHEMBL21798899 0.86 POLR1A (0.58) POLR1AKMT2AMEN1ALDH1A1KCNH2
SCHEMBL21798990 0.85 POLR1A (0.59) POLR1AKMT2AMEN1ALDH1A1KCNH2
SCHEMBL21798874 0.84 POLR1A (0.58) POLR1AKMT2AMEN1ALDH1A1KCNH2
SCHEMBL21798952 0.84 ALDH1A1 (0.70) POLR1AKMT2AMEN1ALDH1A1KCNH2
SCHEMBL21798951 0.84 ALDH1A1 (0.70) POLR1AKMT2AMEN1ALDH1A1KCNH2
SCHEMBL21798928 0.83 POLR1A (0.58) POLR1AKMT2AMEN1ALDH1A1KCNH2
SCHEMBL21798918 0.82 POLR1A (0.61) POLR1AKMT2AMEN1ALDH1A1KCNH2

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 2100/4885KMT2A 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.