SCHEMBL4157925

SCHEMBL4157925

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Cc4ccccn4)cc3c12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.37
PARG Q86W56 1/20 0.34
GPR17 Q13304 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
BRAF P15056 2/20 0.33
GLA P06280 1/20 0.33
PARP1 P09874 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN11 Q06124 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4162519 0.87 DAO (0.42) GPR17HPGDCYP2C19ALDH1A1POLB
SCHEMBL3249036 0.85 TET2 (0.36) PNPPARGHPGDALDH1A1POLB
SCHEMBL4171781 0.85 TBXAS1 (0.39) PNPGPR17HPGDCYP2C19ALDH1A1
SCHEMBL4153942 0.82 MET (0.43) GPR17HPGDCYP2C19PARP1PTPN11
SCHEMBL4155191 0.81 HPGD (0.42) GPR17HPGDCYP2C19ALDH1A1MAPT
SCHEMBL4162915 0.80 PDGFRB (0.46) GPR17HPGDCYP2C19MAPTBRAF
SCHEMBL3249084 0.79 JAK2 (0.39) GABRA1GABRB2RAB9A
SCHEMBL4166925 0.79 USP2 (0.45) HPGDCYP2C19ALDH1A1POLBMAPT
SCHEMBL4163279 0.79 PKM (0.48) POLBMAPTBRAFPARP1RAB9A
SCHEMBL3248784 0.78 PARG (0.34) PARGHPGDALDH1A1POLBGABRA1

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 PNP 1500/4885PARG 3507/4885GPR17 2461/4885

“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.