SCHEMBL4166114

SCHEMBL4166114

O=C(O)CCc1c[nH]c2c(=O)[nH]c3cc(Cl)ccc3c12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 2/20 0.53
PARP1 P09874 1/20 0.43
HPGD P15428 2/20 0.41
S1PR1 P21453 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
ZAP70 P43403 1/20 0.40

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
SCHEMBL4159537 0.86 MPO (0.43) GPR17PARP1HPGDCYP2C19
SCHEMBL4153199 0.83 GPR17 (0.54) GPR17HPGDKDM4EMEN1KMT2A
SCHEMBL4171570 0.83 KDM4E (0.47) GPR17PARP1HPGDCYP2C19KDM4E
SCHEMBL4176378 0.81 GPR17 (0.48) GPR17PARP1HPGDS1PR1CYP2C19
SCHEMBL3244302 0.79 F7 (0.52) PARP1HPGDKDM4EMEN1LMNA
SCHEMBL4169910 0.79 HPGD (0.44) GPR17PARP1HPGDCYP2C19KDM4E
SCHEMBL4165123 0.79 HPGD (0.63) GPR17PARP1HPGDCYP2C19MEN1
SCHEMBL4155432 0.79 CYP2C19 (0.44) GPR17PARP1HPGDCYP2C19KDM4E
SCHEMBL4160621 0.79 MPO (0.49) GPR17HPGDCYP2C19KDM4EKMT2A
SCHEMBL16540415 0.78 GPR84 (0.61) GPR17HPGDS1PR1CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2461/4885PARP1 628/4885HPGD 882/4885

“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.