SCHEMBL3245558

SCHEMBL3245558

CCOC(=O)c1c[nH]c2c(=O)[nH]c3c([N+](=O)[O-])cccc3c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLEC4M Q9H2X3 1/20 0.52
▸ DNA2 P51530 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ FBP1 P09467 2/20 0.45
▸ MAPT P10636 5/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 3/20 0.40

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
SCHEMBL5897373 0.84 CLEC4M (0.57) CLEC4MDNA2CASP6CTDSP1KDM4E
SCHEMBL3245863 0.83 DNA2 (0.45) CLEC4MDNA2CASP6CTDSP1KDM4E
SCHEMBL4739348 0.83 CLEC4M (0.71) CLEC4MDNA2CASP6CTDSP1KDM4E
SCHEMBL3249310 0.83 DNA2 (0.67) DNA2CASP6CTDSP1KDM4EPARP1
SCHEMBL13928208 0.78 KDM4E (0.57) CLEC4MKDM4EMAPTNPC1ALDH1A1
SCHEMBL3249435 0.78 MAPT (0.47) CLEC4MKDM4EPARP1MAPTALDH1A1
SCHEMBL6199586 0.78 PARP1 (0.50) KDM4EPARP1FBP1MAPTMAPK1
SCHEMBL5888027 0.77 PARP1 (0.49) KDM4EPARP1FBP1MAPTMAPK1
SCHEMBL10642399 0.77 FBP1 (0.45) CLEC4MKDM4EPARP1FBP1MAPT
SCHEMBL4161648 0.74 FBP1 (0.56) DNA2CASP6CTDSP1PARP1FBP1

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-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 — — EP claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 — — US disclosed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 — — US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 — — 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 CLEC4M 4384/4885DNA2 3006/4885CASP6 1838/4885

“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.

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