SCHEMBL4160650

SCHEMBL4160650

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(-c4csc(NNc5ccccc5)n4)cc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.39
CSNK2A1 P68400 3/20 0.37
KDR P35968 2/20 0.37
ROCK2 O75116 2/20 0.37
AURKB Q96GD4 2/20 0.37
DYRK3 O43781 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
ROS1 P08922 1/20 0.37
PIM1 P11309 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
FLT4 P35916 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
LIMK1 P53667 1/20 0.37
ROCK1 Q13464 1/20 0.37
CAMK2B Q13554 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL4164423 0.92 CSNK2A1 (0.46) PARP1CSNK2A1KDRROCK2AURKB
SCHEMBL4153887 0.85 ALDH1A1 (0.42) PARP1CSNK2A1KDRROCK2AURKB
SCHEMBL3241800 0.85 RAB9A (0.41) PARP1CSNK2A1KDRROCK2AURKB
SCHEMBL4155345 0.85 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4158049 0.85 PARP1 (0.38) PARP1CSNK2A1KDRROCK2AURKB
SCHEMBL4157997 0.84 RAB9A (0.47) PARP1MAPTALDH1A1MEN1KMT2A
SCHEMBL4155441 0.84 PARP1 (0.46) PARP1ROCK2AURKBPIM1GSK3B
SCHEMBL4167032 0.84 ALOX5 (0.44) PARP1CSNK2A1MAPTMEN1KMT2A
SCHEMBL4153295 0.83 PARP1 (0.47) PARP1ROCK2AURKBPIM1GSK3B
SCHEMBL3251297 0.81 MEN1 (0.43) PARP1MAPTALDH1A1MEN1KMT2A

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-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US claimed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
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 628/4885CSNK2A1 84/4885KDR 869/4885

“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.