SCHEMBL4155350

SCHEMBL4155350

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(-c4ccccc4Cl)cc3c12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 2/20 0.46
FFAR1 O14842 3/20 0.43
S1PR1 P21453 2/20 0.41
PAK1 Q13153 1/20 0.40
PTGES O14684 5/20 0.39
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGER1 P34995 2/20 0.38
PTGER4 P35408 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
TNKS2 Q9H2K2 1/20 0.38
CYP2C9 P11712 1/20 0.38
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAB1 Q9Y478 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
SCHEMBL4165826 0.88 HPGD (0.43) GPR17FFAR1S1PR1HPGDCYP2C19
SCHEMBL4153837 0.87 GPR17 (0.45) GPR17FFAR1HPGDCYP2C19PTGER1
SCHEMBL4163244 0.87 S1PR1 (0.42) GPR17FFAR1S1PR1HPGDCYP2C19
SCHEMBL4157488 0.82 MCL1 (0.42)
SCHEMBL3245633 0.82 PRKAB2 (0.46) PAK1PTGESTNKS2CYP2C9PRKAG1
SCHEMBL4162604 0.82 S1PR1 (0.42) GPR17S1PR1HPGDCYP2C19CYP2C9
SCHEMBL4166164 0.82 GPR17 (0.40) GPR17S1PR1HPGDCYP2C19PTGER1
SCHEMBL4162598 0.81 HPGD (0.52) GPR17S1PR1HPGDCYP2C19
SCHEMBL4164405 0.81 GPR17 (0.40) GPR17FFAR1S1PR1HPGDCYP2C19
SCHEMBL4157563 0.81 HPGD (0.49) GPR17S1PR1HPGDCYP2C19PTGER1

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 2461/4885FFAR1 3984/4885S1PR1 2551/4885

“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.