SCHEMBL4155432

SCHEMBL4155432

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
HPGD P15428 1/20 0.44
GPR17 Q13304 2/20 0.43
PDE5A O76074 1/20 0.42
PDE9A O76083 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
HTR2A P28223 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
PRNP P04156 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
PPARG P37231 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
GSK3B P49841 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
SCHEMBL4165123 0.86 HPGD (0.63) CYP2C19HPGDGPR17CYP1A2CYP2C9
SCHEMBL4160621 0.86 MPO (0.49) CYP2C19HPGDGPR17MTNR1AMTNR1B
SCHEMBL4169910 0.86 HPGD (0.44) CYP2C19HPGDGPR17CYP2C9PPARG
Hydrochloric Acid SCHEMBL4161691 0.85 HPGD (0.62) CYP2C19HPGDGPR17CYP1A2KDM4E
SCHEMBL4171728 0.84 PARP1 (0.44) CYP2C19HPGDGPR17CYP1A2CYP2C9
SCHEMBL4153837 0.84 GPR17 (0.45) CYP2C19HPGDGPR17PPARGMAPT
SCHEMBL4169903 0.84 HTR1A (0.47) CYP2C19HPGDGPR17CYP1A2KDM4E
SCHEMBL4159951 0.83 BCL2 (0.46) HIF1AALDH1A1
SCHEMBL4155191 0.83 HPGD (0.42) CYP2C19HPGDGPR17KDM4EALDH1A1
SCHEMBL4165404 0.83 HPGD (0.42) CYP2C19HPGDGPR17MTNR1AMTNR1B

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 CYP2C19 4277/4885HPGD 882/4885GPR17 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.