SCHEMBL4158049

SCHEMBL4158049

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(-c4csc(Nc5c(Cl)cccc5Cl)n4)cc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
GPR17 Q13304 1/20 0.38
S1PR1 P21453 2/20 0.37
PLAU P00749 1/20 0.36
TRPA1 O75762 3/20 0.36
ALOX5 P09917 2/20 0.35
ABL1 P00519 3/20 0.35
MAPT P10636 2/20 0.35
CSNK2A1 P68400 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DYRK3 O43781 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
ROS1 P08922 1/20 0.34
PIM1 P11309 1/20 0.34
RPS6KB1 P23443 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
SCHEMBL4153887 0.92 ALDH1A1 (0.42) PARP1GPR17S1PR1PLAUALOX5
SCHEMBL4164423 0.89 CSNK2A1 (0.46) PARP1ALOX5MAPTCSNK2A1GAA
SCHEMBL4167032 0.89 ALOX5 (0.44) PARP1TRPA1ALOX5ABL1MAPT
SCHEMBL3253478 0.86 CSNK2A2 (0.41) PARP1ALOX5ABL1MAPTCSNK2A1
SCHEMBL4160650 0.85 PARP1 (0.39) PARP1MAPTCSNK2A1GAAALDH1A1
SCHEMBL4157997 0.85 RAB9A (0.47) PARP1ABL1MAPTALDH1A1SMN1; SMN2
SCHEMBL4155441 0.83 PARP1 (0.46) PARP1MAPTGAAALDH1A1HPGD
SCHEMBL4155345 0.82 ALDH1A1 (0.45) MAPTGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL4153295 0.82 PARP1 (0.47) PARP1MAPTGAAALDH1A1HPGD
SCHEMBL3245553 0.81 ALDH1A1 (0.43) PARP1MAPTGAAALDH1A1SMN1; SMN2

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 628/4885GPR17 2461/4885S1PR1 2551/4885

“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.