SCHEMBL4155441

SCHEMBL4155441

Nc1nc(-c2ccc3[nH]c(=O)c4[nH]cc(CCC(=O)O)c4c3c2)cs1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.46
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ROCK2 O75116 1/20 0.38
PIM1 P11309 1/20 0.38
GSK3B P49841 1/20 0.38
AURKB Q96GD4 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 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
SCHEMBL4153295 0.90 PARP1 (0.47) PARP1HPGDCYP2C19ALDH1A1KDM4E
SCHEMBL4155345 0.88 ALDH1A1 (0.45) HPGDALDH1A1KDM4EPOLBMAPT
SCHEMBL4164423 0.85 CSNK2A1 (0.46) PARP1HPGDALDH1A1KDM4EROCK2
SCHEMBL4160650 0.84 PARP1 (0.39) PARP1ALDH1A1KDM4EROCK2PIM1
SCHEMBL4162598 0.84 HPGD (0.52) PARP1HPGDCYP2C19
SCHEMBL4157705 0.84 HPGD (0.41) HPGDCYP2C19ROCK2PIM1GSK3B
SCHEMBL4157997 0.83 RAB9A (0.47) PARP1ALDH1A1KDM4EPOLBMAPT
SCHEMBL4159318 0.83 HDAC3 (0.47) PARP1MEN1KMT2A
SCHEMBL4163697 0.83 HPGDS (0.39) PARP1
SCHEMBL3242975 0.83 PARP1 (0.49) PARP1HPGDALDH1A1KDM4EROCK2

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 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.