SCHEMBL4159498

SCHEMBL4159498

CN(C)c1nccc(-c2ccc3[nH]c(=O)c4[nH]cc(CCC(=O)O)c4c3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
AAK1 Q2M2I8 1/20 0.36
DYRK1A Q13627 3/20 0.36
CYP2C19 P33261 2/20 0.35
HPGD P15428 1/20 0.35
S1PR1 P21453 8/20 0.34
GPR17 Q13304 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
SERPINE1 P05121 1/20 0.33
TBXAS1 P24557 1/20 0.31
IKBKB O14920 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
Formic Acid SCHEMBL4159384 0.88 PIM1 (0.36) DYRK1ACYP2C19HPGDS1PR1
SCHEMBL4157705 0.87 HPGD (0.41) PDPK1AAK1DYRK1ACYP2C19HPGD
SCHEMBL4169945 0.86 AURKA (0.43) PDPK1CYP2C19HPGDS1PR1GPR17
SCHEMBL4160172 0.85 PDPK1 (0.43) PDPK1DYRK1ACYP2C19HPGDS1PR1
SCHEMBL3251264 0.84 PDPK1 (0.43) PDPK1AAK1DYRK1AHPGDCYP1A2
Formic Acid SCHEMBL4160207 0.84 AURKA (0.41) PDPK1CYP2C19HPGDS1PR1GPR17
SCHEMBL4161175 0.82 CAMK2D (0.45)
SCHEMBL4159531 0.81 MAPT (0.39)
SCHEMBL4162442 0.80 HPGD (0.42) CYP2C19HPGDGPR17TBXAS1USP2
SCHEMBL4162604 0.80 S1PR1 (0.42) CYP2C19HPGDS1PR1GPR17CCNC

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 PDPK1 23/4885AAK1 257/4885DYRK1A 1436/4885

“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.