SCHEMBL21798978

SCHEMBL21798978

COC(=O)C1CCC(NC(=O)c2cccn3c(=O)c4ccccc4nc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 6/20 0.59
KCNH2 Q12809 2/20 0.56
KDM4E B2RXH2 3/20 0.56
HSD17B10 Q99714 2/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 4/20 0.54
TSHR P16473 3/20 0.52
CYP1A2 P05177 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL21798889 0.90 POLR1A (0.61) POLR1AKCNH2KDM4EHSD17B10CASP1
SCHEMBL21798918 0.90 POLR1A (0.61) POLR1AKCNH2KDM4EHSD17B10CASP1
SCHEMBL21798979 0.90 POLR1A (0.54) POLR1AKCNH2KDM4EHSD17B10CASP1
SCHEMBL21836154 0.89 POLR1A (0.59) POLR1AKCNH2KDM4EMEN1KMT2A
SCHEMBL21798984 0.89 POLR1A (0.58) POLR1AKCNH2KDM4EMEN1KMT2A
SCHEMBL21798970 0.88 ALDH1A1 (0.71) POLR1AKCNH2KDM4EHSD17B10CASP1
SCHEMBL21798943 0.88 POLR1A (0.60) POLR1AKCNH2KDM4EMEN1KMT2A
SCHEMBL21798975 0.88 POLR1A (0.57) POLR1AKCNH2KDM4EMEN1KMT2A
SCHEMBL21798949 0.88 KMT2A (0.59) POLR1AKCNH2KDM4EHSD17B10CASP1
SCHEMBL21798969 0.88 ALDH1A1 (0.71) POLR1AKCNH2KDM4EHSD17B10CASP1

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 POLR1A 2100/4885KCNH2 3088/4885KDM4E 1110/4885

“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.