SCHEMBL3242013

SCHEMBL3242013

CCNc1nccc(-c2ccc3[nH]c(=O)c4[nH]cc(C(=O)OCC)c4c3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
JAK2 O60674 14/20 0.42
JAK3 P52333 14/20 0.42
NPC1 O15118 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38

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
SCHEMBL13928212 0.92 AURKA (0.42) PDPK1JAK2JAK3NPC1GABRA1
SCHEMBL3245517 0.89 PDPK1 (0.46) PDPK1JAK2JAK3
Formic Acid SCHEMBL3249548 0.89 JAK3 (0.40) PDPK1JAK2JAK3NPC1GABRA1
SCHEMBL3244692 0.88 SPHK1 (0.43) JAK2JAK3NPC1
SCHEMBL3253182 0.87 JAK2 (0.43) JAK2JAK3NPC1GABRA1GABRB2
SCHEMBL3250738 0.86 PDPK1 (0.42) PDPK1NPC1
SCHEMBL3247681 0.86 JAK2 (0.42) PDPK1JAK2JAK3NPC1GABRA1
SCHEMBL3249792 0.85 NPC1 (0.40) JAK2JAK3NPC1MEN1KMT2A
SCHEMBL13928213 0.82 JAK2 (0.38) JAK2JAK3NPC1GABRA1GABRB2
SCHEMBL4160172 0.81 PDPK1 (0.43) PDPK1

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 PDPK1 23/4885JAK2 70/4885JAK3 171/4885

“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.