SCHEMBL3243050

SCHEMBL3243050

CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(-c4ccc(NC(=O)OC(C)(C)C)cc4)cc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
NPC1 O15118 1/20 0.40
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
CYP17A1 P05093 2/20 0.38
JAK2 O60674 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA3 P34903 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CLEC4M Q9H2X3 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
JAK3 P52333 2/20 0.37
SCN9A Q15858 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3249904 0.92 JAK3 (0.44) CYP17A1JAK2JAK3
SCHEMBL3245555 0.88 MAP4K4 (0.44) MAP4K4GABRA1CYP17A1JAK2GABRA3
SCHEMBL3245835 0.86 TRPV1 (0.41) NPC1GABRA1GABRB2JAK2MEN1
SCHEMBL3251646 0.86 MAP4K4 (0.40) MAP4K4CYP17A1JAK2ADORA3SCN9A
SCHEMBL3252757 0.83 NPC1 (0.51) NPC1GABRA1GABRB2JAK2MEN1
SCHEMBL3249649 0.82 JAK2 (0.50) NPC1GABRA1GABRB2JAK2MEN1
SCHEMBL3250598 0.81 JAK2 (0.50) NPC1GABRA1GABRB2JAK2GABRB1
SCHEMBL4166406 0.81 MAP4K4 (0.41) MAP4K4GABRA1CYP17A1JAK2GABRA3
SCHEMBL3251493 0.80 CYP17A1 (0.45) MAP4K4GABRA1CYP17A1JAK2GABRA3
SCHEMBL3252021 0.80 JAK3 (0.47) NPC1JAK2JAK3

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
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
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 MAP4K4 44/4885NPC1 3366/4885GABRA1 3395/4885

“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.