SCHEMBL4155562

SCHEMBL4155562

CN(C)CC#Cc1ccc2[nH]c(=O)c3[nH]cc(CCC(=O)O)c3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.39
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
PIKFYVE Q9Y2I7 3/20 0.35
TBK1 Q9UHD2 1/20 0.35
GPR17 Q13304 1/20 0.35
STK16 O75716 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
DYRK1A Q13627 1/20 0.34
MYLK Q15746 1/20 0.34
MAP3K19 Q56UN5 1/20 0.34
MYLK4 Q86YV6 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
HASPIN Q8TF76 1/20 0.34
AURKB Q96GD4 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
IRAK4 Q9NWZ3 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
SCHEMBL4159515 0.88 FFAR1 (0.33) METHPGDCYP2C19GPR17FFAR1
SCHEMBL4160294 0.85 FFAR1 (0.48) HPGDCYP2C19GPR17FFAR1FFAR4
SCHEMBL4160259 0.84 GABRA1 (0.41) HPGDCYP2C19GPR17FFAR1FFAR4
SCHEMBL3245806 0.84 TBK1 (0.43) METHPGDCYP2C19PIM1PIM2
SCHEMBL4162287 0.83 HPGD (0.38) HPGDCYP2C19PIKFYVEGPR17FFAR1
SCHEMBL4165404 0.83 HPGD (0.42) HPGDCYP2C19GPR17FFAR1FFAR4
SCHEMBL4162442 0.81 HPGD (0.42) HPGDCYP2C19GPR17APEX1
SCHEMBL4159597 0.80 MMP13 (0.41) HPGDCYP2C19
SCHEMBL4159518 0.79 FFAR1 (0.50) HPGDCYP2C19GPR17FFAR1FFAR4
SCHEMBL3253365 0.78 GABRA1 (0.41) METHPGDCYP2C19PIM1PIM2

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 MET 1215/4885HPGD 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.