SCHEMBL3250598

SCHEMBL3250598

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.50
JAK3 P52333 1/20 0.50
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
GABRA1 P14867 4/20 0.44
GABRA3 P34903 3/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 3/20 0.43
GAA P10253 1/20 0.43
GABRB1 P18505 2/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA4 P48169 1/20 0.43

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
SCHEMBL3252757 0.90 NPC1 (0.51) JAK2JAK3ALDH1A1NPC1KDM4E
SCHEMBL3249649 0.89 JAK2 (0.50) JAK2JAK3ALDH1A1NPC1KDM4E
SCHEMBL3249118 0.86 KDM4E (0.51) ALDH1A1NPC1KDM4EHPGDRAB9A
SCHEMBL3252056 0.86 NPC1 (0.43) JAK2JAK3ALDH1A1NPC1KDM4E
SCHEMBL3249012 0.86 NPC1 (0.46) JAK2JAK3ALDH1A1NPC1KDM4E
SCHEMBL3254800 0.85 RIOK2 (0.46) JAK2JAK3ALDH1A1NPC1KDM4E
SCHEMBL3254865 0.85 ALDH1A1 (0.47) JAK2JAK3ALDH1A1NPC1KDM4E
SCHEMBL3250086 0.85 JAK2 (0.52) JAK2JAK3ALDH1A1NPC1KDM4E
SCHEMBL3247669 0.85 JAK2 (0.48) JAK2JAK3ALDH1A1NPC1KDM4E
SCHEMBL3249865 0.84 KDM4E (0.40) ALDH1A1NPC1KDM4EHPGDRAB9A

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 JAK2 70/4885JAK3 171/4885ALDH1A1 3830/4885

“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.