SCHEMBL3253196

SCHEMBL3253196

CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(NS(C)(=O)=O)cc3c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.53
MMP13 P45452 1/20 0.53
HPGD P15428 3/20 0.46
RECQL P46063 1/20 0.46
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRB1 P18505 1/20 0.42
GABRA3 P34903 1/20 0.42
CLEC4M Q9H2X3 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
POLB P06746 1/20 0.41
SPR P35270 1/20 0.41
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL3251203 0.90 JAK3 (0.47) MMP2MMP13CLEC4MAURKAAURKB
SCHEMBL3255461 0.88 BRD4 (0.52) HPGDALDH1A1MAPK1AURKAAURKB
SCHEMBL3249004 0.88 HIF1A (0.51) HPGDRECQLALDH1A1MAPK1CYP1A2
SCHEMBL3249074 0.88 GABRA1 (0.46) HPGDGABRA1GABRB2GABRB1GABRA3
SCHEMBL3254022 0.86 HIF1A (0.52) HPGDALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL3251174 0.86 HIF1A (0.52) HPGDGABRA1GABRB2GABRB1GABRA3
SCHEMBL3251557 0.86 BRD4 (0.55) MMP2MMP13HPGDGABRA1GABRB2
SCHEMBL3251191 0.86 PKM (0.49) HPGDALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL13928204 0.86 MMP13 (0.51) MMP13HPGDGABRA1GABRB2GABRB1
SCHEMBL3254038 0.85 BRD4 (0.55) HPGDALDH1A1MAPK1POLBMEN1

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 MMP2 1886/4885MMP13 3517/4885HPGD 882/4885

“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.