SCHEMBL3249679

SCHEMBL3249679

CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(-c4ccn(C)n4)cc3c12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 2/20 0.44
JAK2 O60674 5/20 0.42
JAK3 P52333 5/20 0.42
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRB1 P18505 1/20 0.41
GABRA3 P34903 1/20 0.41
NPC1 O15118 1/20 0.41
CLEC4M Q9H2X3 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
GUCY1A1 Q02108 1/20 0.40
GUCY1B1 Q02153 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3244810 0.86 KDM4E (0.40) JMJD6CYP1A2CYP2C19KDM4E
SCHEMBL3252260 0.85 JMJD6 (0.36) JMJD6GABRA1GABRB2GABRB1GABRA3
SCHEMBL3252802 0.84 GABRA1 (0.43) JAK2JAK3GABRA1GABRB2GABRB1
SCHEMBL3252757 0.83 NPC1 (0.51) JAK2JAK3GABRA1GABRB2GABRB1
SCHEMBL3249649 0.82 JAK2 (0.50) JAK2JAK3GABRA1GABRB2GABRB1
SCHEMBL3251009 0.82 PARP1 (0.47) JAK2JAK3GABRA1GABRB2GABRB1
SCHEMBL3250598 0.81 JAK2 (0.50) JAK2JAK3GABRA1GABRB2GABRB1
SCHEMBL3249681 0.81 PARP1 (0.44) JAK2JAK3GABRA1GABRB2GABRB1
SCHEMBL3247669 0.80 JAK2 (0.48) JAK2JAK3GABRA1GABRB2GABRB1
SCHEMBL3250086 0.80 JAK2 (0.52) JAK2JAK3GABRA1GABRB2GABRB1

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 JMJD6 2510/4885JAK2 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.