SCHEMBL4171728

SCHEMBL4171728

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.44
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
APEX1 P27695 1/20 0.40
GPR17 Q13304 1/20 0.39
HTR7 P34969 3/20 0.36
HTR1A P08908 3/20 0.34
HTR1B P28222 3/20 0.34
HTR1D P28221 2/20 0.34
HTR2C P28335 2/20 0.34
HTR5A P47898 2/20 0.34
HTR6 P50406 2/20 0.34
CYP1A2 P05177 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL4161931 0.89 GPR17 (0.41) PARP1HPGDCYP2C19APEX1GPR17
SCHEMBL4169903 0.87 HTR1A (0.47) PARP1HPGDCYP2C19APEX1GPR17
SCHEMBL4159922 0.85 HPGD (0.41) PARP1HPGDCYP2C19APEX1GPR17
SCHEMBL4155432 0.84 CYP2C19 (0.44) PARP1HPGDCYP2C19GPR17CYP1A2
SCHEMBL3255989 0.82 PARP1 (0.47) PARP1HPGDAPEX1HTR7CYP1A2
SCHEMBL4169910 0.82 HPGD (0.44) PARP1HPGDCYP2C19APEX1GPR17
SCHEMBL4160621 0.82 MPO (0.49) HPGDCYP2C19GPR17HTR1ATSHR
SCHEMBL4165123 0.82 HPGD (0.63) PARP1HPGDCYP2C19APEX1GPR17
SCHEMBL4162937 0.81 PARP1 (0.51) PARP1HSD17B10MEN1TSHRKMT2A
Hydrochloric Acid SCHEMBL4161691 0.81 HPGD (0.62) PARP1HPGDCYP2C19APEX1GPR17

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 2 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 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 PARP1 628/4885HPGD 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.