SCHEMBL4166124

SCHEMBL4166124

O=C(O)C1(c2c[nH]c3c(=O)[nH]c4ccc(I)cc4c23)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.31
PARP1 P09874 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30
SERPINE1 P05121 1/20 0.30

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
SCHEMBL4160382 0.84 AKR1C1 (0.40) AKR1C1PARP1CDK1CDK2
SCHEMBL4159565 0.78 CAMKK2 (0.39)
SCHEMBL3243089 0.76 CYP1A2 (0.45) PARP1
SCHEMBL4157600 0.76 PARG (0.45)
SCHEMBL4169910 0.71 HPGD (0.44) PARP1SERPINE1
SCHEMBL3251640 0.70 MMP9 (0.37)
SCHEMBL4166327 0.70 SERPINE1 (0.44) PARP1SERPINE1
SCHEMBL3253875 0.67 GABRA1 (0.50)
SCHEMBL3245847 0.66 KDM4E (0.46)
SCHEMBL3254227 0.65 ALDH1A1 (0.47) CDK1CDK2

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 2 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 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 AKR1C1 3337/4885PARP1 628/4885PRKAB2 115/4885

“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.