SCHEMBL3249792

SCHEMBL3249792

CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(-c4ccnc(Nc5nc6ccccc6[nH]5)n4)cc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
JAK2 O60674 5/20 0.39
JAK3 P52333 5/20 0.39
SYK P43405 1/20 0.37
TEK Q02763 3/20 0.37
AURKA O14965 1/20 0.37
LCK P06239 1/20 0.37
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3244692 0.88 SPHK1 (0.43) NPC1JAK2JAK3SYKSPHK1
SCHEMBL3245637 0.88 DDX3X (0.41) NPC1SYKTEKAURKALCK
SCHEMBL3253934 0.88 TEK (0.37) NPC1TEKAURKALCKKDR
SCHEMBL13928212 0.86 AURKA (0.42) NPC1JAK2JAK3AURKAAURKB
SCHEMBL3242013 0.85 PDPK1 (0.43) NPC1JAK2JAK3KMT2AMEN1
Formic Acid SCHEMBL3249548 0.83 JAK3 (0.40) NPC1JAK2JAK3AURKAAURKB
SCHEMBL4161856 0.82 ITGB3 (0.40) NPC1SYKAURKAKDRAURKB
SCHEMBL3253182 0.81 JAK2 (0.43) NPC1JAK2JAK3
SCHEMBL3247681 0.80 JAK2 (0.42) NPC1JAK2JAK3
Propionic Acid SCHEMBL4161864 0.79 ABL1 (0.37) NPC1JAK2JAK3SYKTEK

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 NPC1 3366/4885JAK2 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.