SCHEMBL4155345

SCHEMBL4155345

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(-c4csc(-c5ccccc5)n4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CDK5 Q00535 10/20 0.44
CDK5R1 Q15078 10/20 0.44
SMN1; SMN2 Q16637 7/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CDC25A P30304 2/20 0.40
CDC25B P30305 2/20 0.40
CDC25C P30307 2/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL4155441 0.88 PARP1 (0.46) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4153295 0.87 PARP1 (0.47) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL4164423 0.86 CSNK2A1 (0.46) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4153837 0.85 GPR17 (0.45) MAPTHPGD
SCHEMBL4160650 0.85 PARP1 (0.39) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4159318 0.85 HDAC3 (0.47) MEN1KMT2ALMNA
SCHEMBL3250131 0.84 CDK5 (0.47) ALDH1A1CDK5CDK5R1SMN1; SMN2MAPT
SCHEMBL4153887 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4158049 0.82 PARP1 (0.38) ALDH1A1SMN1; SMN2MAPTGAAHPGD
SCHEMBL4157997 0.81 RAB9A (0.47) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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 ALDH1A1 3830/4885CDK5 30/4885CDK5R1 153/4885

“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.