SCHEMBL4165294

SCHEMBL4165294

CN(C)C=CC(=O)c1ccc2[nH]c(=O)c3[nH]cc(CCC(=O)O)c3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.39
HPGD P15428 4/20 0.37
CYP2C19 P33261 3/20 0.37
MAPT P10636 7/20 0.37
ALDH1A1 P00352 7/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 4/20 0.36
HSP90AA1 P07900 3/20 0.36
LMNA P02545 3/20 0.36
RECQL P46063 2/20 0.36
GPR17 Q13304 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
CYP1A2 P05177 2/20 0.34
ALOX12 P18054 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 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
SCHEMBL4169903 0.84 HTR1A (0.47) APEX1HPGDCYP2C19ALDH1A1KMT2A
SCHEMBL3244473 0.83 MAPT (0.39) HPGDCYP2C19MAPTALDH1A1RAB9A
SCHEMBL3244481 0.83 MAPT (0.39) HPGDCYP2C19MAPTALDH1A1RAB9A
SCHEMBL4161931 0.82 GPR17 (0.41) APEX1HPGDCYP2C19ALDH1A1RAB9A
SCHEMBL4162442 0.81 HPGD (0.42) APEX1HPGDCYP2C19MAPTALDH1A1
SCHEMBL4171728 0.80 PARP1 (0.44) APEX1HPGDCYP2C19KMT2ALMNA
SCHEMBL4159922 0.80 HPGD (0.41) APEX1HPGDCYP2C19ALDH1A1RAB9A
SCHEMBL3249936 0.78 ALDH1A1 (0.44) HPGDCYP2C19MAPTALDH1A1RAB9A
SCHEMBL3249941 0.78 ALDH1A1 (0.44) HPGDCYP2C19MAPTALDH1A1RAB9A
SCHEMBL4162942 0.77 KDM4E (0.44) HPGDCYP2C19MAPTALDH1A1RAB9A

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 APEX1 2775/4885HPGD 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.