SCHEMBL3249681

SCHEMBL3249681

CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(-c4csc(N)n4)cc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
CDK5 Q00535 5/20 0.43
CDK5R1 Q15078 5/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
JAK2 O60674 8/20 0.42
JAK3 P52333 8/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL3251009 0.92 PARP1 (0.47) PARP1CDK5CDK5R1MAPTJAK2
SCHEMBL3249830 0.88 CDK5 (0.49) CDK5CDK5R1ALDH1A1MAPTJAK2
SCHEMBL3243014 0.85 PARP1 (0.45) PARP1ALDH1A1MAPTKDM4EPKM
SCHEMBL3242975 0.85 PARP1 (0.49) PARP1ALDH1A1MAPTKDM4EHTT
SCHEMBL3251763 0.85 BAZ2A (0.42) PARP1CDK5CDK5R1JAK2JAK3
SCHEMBL3253176 0.85 MEN1 (0.44) PARP1ALDH1A1MAPTKDM4EJAK2
SCHEMBL3249649 0.84 JAK2 (0.50) ALDH1A1MAPTKDM4EJAK2JAK3
SCHEMBL3253182 0.84 JAK2 (0.43) CDK5CDK5R1JAK2JAK3GABRA1
SCHEMBL3251297 0.84 MEN1 (0.43) PARP1CDK5CDK5R1ALDH1A1MAPT
SCHEMBL3254695 0.84 ABL1 (0.46) PARP1CDK5CDK5R1ALDH1A1MAPT

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 PARP1 628/4885CDK5 30/4885CDK5R1 153/4885

“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.