SCHEMBL3251502

SCHEMBL3251502

CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc([S+]([O-])Cc4ccccc4)cc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRB1 P18505 2/20 0.46
KDM4E B2RXH2 2/20 0.41
CLEC4M Q9H2X3 1/20 0.41
CSF1R P07333 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ALOX5 P09917 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA2 P47869 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 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
SCHEMBL3247241 0.88 CYP1A2 (0.36) GABRA1GABRB2GABRA3GABRB1KDM4E
SCHEMBL3255423 0.86 GABRA1 (0.37) GABRA1GABRB2GABRA3GABRB1KDM4E
SCHEMBL3251814 0.83 GABRA1 (0.56) GABRA1GABRB2GABRA3GABRB1KDM4E
SCHEMBL3249920 0.81 GABRA1 (0.47) GABRA1GABRB2GABRA3GABRB1KDM4E
SCHEMBL3252757 0.81 NPC1 (0.51) GABRA1GABRB2GABRA3GABRB1KDM4E
SCHEMBL3251882 0.80 GABRA1 (0.48) GABRA1GABRB2GABRA3GABRB1KDM4E
SCHEMBL3249741 0.79 ALDH1A1 (0.48) GABRA1GABRB2GABRA3GABRB1KDM4E
SCHEMBL13928208 0.79 KDM4E (0.57) GABRA1GABRB2GABRA3GABRB1KDM4E
SCHEMBL4153024 0.79 HPGD (0.37) KDM4ECYP2C19
SCHEMBL3250604 0.78 GABRA1 (0.45) GABRA1GABRB2GABRA3GABRB1KDM4E

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 GABRA1 3395/4885GABRB2 2245/4885GABRA3 3138/4885

“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.