SCHEMBL10025822

SCHEMBL10025822

Cn1c(=O)c2ccccc2c2c3ccccc3c(c3ccccc3c(=O)n(C)c3ccccc31)c1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.50
CDC25C P30307 1/20 0.50
GPR3 P46089 1/20 0.50
ERCC1 P07992 1/20 0.48
FEN1 P39748 1/20 0.48
ERCC4 Q92889 1/20 0.48
AURKA O14965 1/20 0.47
KDR P35968 1/20 0.47
AURKB Q96GD4 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 1/20 0.47
PGR P06401 3/20 0.46
GABRA5 P31644 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL31276757 0.84 GPR3 (0.65) CDC25ACDC25CGPR3ERCC1FEN1
SCHEMBL346785 0.84 GPR3 (0.65) CDC25ACDC25CGPR3ERCC1FEN1
SCHEMBL10025829 0.81 TDP1 (0.44) CDC25ACDC25CERCC1FEN1ERCC4
SCHEMBL1278798 0.81 GABRA5 (0.55) GPR3ERCC1FEN1ERCC4ALDH1A1
SCHEMBL31093975 0.81 GABRA5 (0.55) GPR3ERCC1FEN1ERCC4ALDH1A1
SCHEMBL11188527 0.81 ATM (0.56) GPR3ERCC1FEN1ERCC4ALDH1A1
SCHEMBL862547 0.79 TDP1 (0.54) GPR3ERCC1FEN1ERCC4ALDH1A1
SCHEMBL31276749 0.75 ALKBH5 (0.58) CDC25ACDC25CGPR3ERCC1FEN1
SCHEMBL6366340 0.74 ERCC1 (0.69) GPR3ERCC1FEN1ERCC4ALDH1A1
SCHEMBL30665027 0.74 ERCC1 (0.69) GPR3ERCC1FEN1ERCC4ALDH1A1

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
US-8124249-B2 Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers MERCK PATENT GMBH (DE) 2012-02-28 US disclosed
US-8124249-B2 Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers MERCK PATENT GMBH (DE) 2012-02-28 US disclosed
US-20080171225-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
US-20080171225-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-17 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-20080171225-A1 Novel Materials For Organic Electroluminescent Devices OR10J3, EML4, TYR CDC25A 3964/4885CDC25C 3431/4885GPR3 3641/4885

“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.