SCHEMBL4157705

SCHEMBL4157705

Nc1nccc(-c2ccc3[nH]c(=O)c4[nH]cc(CCC(=O)O)c4c3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
CDK2 P24941 4/20 0.39
PDPK1 O15530 2/20 0.39
ROCK1 Q13464 2/20 0.39
ROCK2 O75116 2/20 0.39
AURKA O14965 1/20 0.39
CHUK O15111 1/20 0.39
RPS6KB1 P23443 1/20 0.39
KDR P35968 1/20 0.39
TGFBR1 P36897 1/20 0.39
SYK P43405 1/20 0.39
JAK3 P52333 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAP3K5 Q99683 1/20 0.39
JAK2 O60674 2/20 0.37
CAMKK2 Q96RR4 1/20 0.36
PIM1 P11309 4/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36

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
SCHEMBL4159498 0.87 PDPK1 (0.39) HPGDCYP2C19PDPK1CYP1A2IKBKB
SCHEMBL4169945 0.86 AURKA (0.43) HPGDCYP2C19PDPK1AURKASYK
SCHEMBL4160172 0.85 PDPK1 (0.43) HPGDCYP2C19CDK2PDPK1AURKA
SCHEMBL4161175 0.84 CAMK2D (0.45) SYKJAK3JAK2CAMKK2GSK3B
SCHEMBL4155441 0.84 PARP1 (0.46) HPGDCYP2C19ROCK2AURKBPIM1
Formic Acid SCHEMBL4160207 0.83 AURKA (0.41) HPGDCYP2C19PDPK1AURKASYK
SCHEMBL3249380 0.83 CAMKK2 (0.46) CDK2PDPK1ROCK1ROCK2AURKA
SCHEMBL4162598 0.83 HPGD (0.52) HPGDCYP2C19KDRIKBKBGPR17
Formic Acid SCHEMBL4159384 0.82 PIM1 (0.36) HPGDCYP2C19PIM1PIM3PIM2
SCHEMBL4153837 0.81 GPR17 (0.45) HPGDCYP2C19KDRPIM1IKBKB

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 HPGD 882/4885CYP2C19 4277/4885CDK2 28/4885

“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.