SCHEMBL21958529

SCHEMBL21958529

Cn1c(=O)n(O)c2cccnc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 3/20 0.66
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
DAO P14920 2/20 0.45
CNOT7 Q9UIV1 1/20 0.40
HSD17B10 Q99714 3/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
ADORA2B P29275 1/20 0.38
POLB P06746 1/20 0.38
CCNT1 O60563 1/20 0.38
PIM1 P11309 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL20674011 0.86 FEN1 (0.61) FEN1ERCC1ERCC4DAOCNOT7
SCHEMBL3515107 0.83 FEN1 (0.53) FEN1HSD17B10HTTHPGDADORA2B
SCHEMBL18687483 0.79 FEN1 (1.00) FEN1ERCC1ERCC4DAOCNOT7
SCHEMBL29960173 0.79 FEN1 (1.00) FEN1ERCC1ERCC4DAOCNOT7
SCHEMBL2068569 0.76 FEN1 (0.46) FEN1ADORA2BGRIN1GRIN2B
SCHEMBL13322658 0.76 FEN1 (0.46) FEN1HSD17B10HTTHPGDADORA2B
SCHEMBL8093488 0.75 PDE10A (0.47) FEN1POLBCCNT1PIM1CCNA2
SCHEMBL25406675 0.73 FEN1 (0.44) FEN1HSD17B10HTTHPGDCCNT1
SCHEMBL1520214 0.72 ERCC1 (0.66) FEN1ERCC1ERCC4HSD17B10ADORA2B
SCHEMBL18726701 0.71 FEN1 (0.45) FEN1ERCC1ERCC4HSD17B10HTT

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-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed
US-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 FEN1 3058/4885ERCC1 3273/4885ERCC4 2765/4885

“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.