SCHEMBL4166164

SCHEMBL4166164

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(-c4cccc(O)c4)cc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CHEK1 O14757 3/20 0.38
PARP1 P09874 1/20 0.38
WEE1 P30291 2/20 0.38
EGFR P00533 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
TRPV1 Q8NER1 2/20 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
SCHEMBL4153837 0.91 GPR17 (0.45) GPR17HPGDCYP2C19GRIN2DGRIN3B
SCHEMBL4157563 0.89 HPGD (0.49) GPR17HPGDCYP2C19GRIN2DGRIN3B
SCHEMBL4163088 0.88 GRIN2D (0.45) GPR17HPGDCYP2C19GRIN2DGRIN3B
SCHEMBL4153796 0.87 TRIM24 (0.39) GPR17HPGDCYP2C19GRIN2DGRIN3B
SCHEMBL4160171 0.86 MAPT (0.43) GPR17HPGDCYP2C19GRIN2DGRIN3B
SCHEMBL4155339 0.85 CAMKK2 (0.40) GPR17HPGDCYP2C19GRIN2DGRIN3B
SCHEMBL4162598 0.85 HPGD (0.52) GPR17HPGDCYP2C19CHEK1PARP1
SCHEMBL4157735 0.85 NR4A2 (0.44) GPR17HPGDCYP2C19CDK4CCND1
SCHEMBL4165158 0.84 MME (0.42) HPGDCHEK1TRPV1ALDH1A1
Trifluoroacetic Acid SCHEMBL4155407 0.84 HPGD (0.45) GPR17HPGDCYP2C19GRIN2DGRIN3B

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 GPR17 2461/4885HPGD 882/4885CYP2C19 4277/4885

“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.