SCHEMBL21798949

SCHEMBL21798949

COC(=O)C1CCC(NC(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
POLR1A O95602 7/20 0.57
ALDH1A1 P00352 6/20 0.57
MEN1 O00255 2/20 0.57
TSHR P16473 2/20 0.54
KDM4E B2RXH2 5/20 0.54
GLA P06280 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
HPGD P15428 3/20 0.53
GAA P10253 2/20 0.53
CASP1 P29466 2/20 0.53
CASP7 P55210 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
KCNH2 Q12809 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL21798874 0.91 POLR1A (0.58) KMT2ANPSR1POLR1AALDH1A1MEN1
SCHEMBL21798984 0.90 POLR1A (0.58) KMT2ANPSR1POLR1AALDH1A1MEN1
SCHEMBL21798975 0.89 POLR1A (0.57) KMT2ANPSR1POLR1AALDH1A1MEN1
SCHEMBL21798943 0.89 POLR1A (0.60) KMT2ANPSR1POLR1AALDH1A1MEN1
SCHEMBL21798969 0.89 ALDH1A1 (0.71) KMT2ANPSR1POLR1AALDH1A1MEN1
SCHEMBL21798970 0.89 ALDH1A1 (0.71) KMT2ANPSR1POLR1AALDH1A1MEN1
SCHEMBL21798905 0.89 POLR1A (0.56) KMT2ANPSR1POLR1AALDH1A1MEN1
SCHEMBL21836154 0.89 POLR1A (0.59) KMT2ANPSR1POLR1AALDH1A1MEN1
SCHEMBL21798978 0.88 POLR1A (0.59) KMT2ANPSR1POLR1AALDH1A1MEN1
SCHEMBL21798958 0.87 POLR1A (0.55) KMT2ANPSR1POLR1AALDH1A1MEN1

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 KMT2A 1192/4885NPSR1 4638/4885POLR1A 2100/4885

“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.