SCHEMBL3249820

SCHEMBL3249820

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.49
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PDE5A O76074 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 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
SCHEMBL3245998 0.89 KDM4E (0.41) BRAFKDM4EPOLBTDP1L3MBTL1
SCHEMBL3250608 0.89 BRAF (0.53) BRAFKDM4EPOLBTDP1L3MBTL1
SCHEMBL3244575 0.87 POLB (0.42) BRAFKDM4EPOLBTDP1L3MBTL1
SCHEMBL3246175 0.87 BRAF (0.48) BRAFKDM4EPOLBTDP1L3MBTL1
SCHEMBL3248963 0.85 TAS2R14 (0.44) KDM4EL3MBTL1ALOX15ALDH1A1HPGD
SCHEMBL3249025 0.83 MAPT (0.52) KDM4EL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL3242035 0.82 GABRA1 (0.45) KDM4EPOLBL3MBTL1ALDH1A1HPGD
SCHEMBL3244720 0.81 GABRA1 (0.44) KDM4EPOLBL3MBTL1CA12CA2
SCHEMBL3250602 0.81 PARG (0.50) BRAFKDM4EPOLBTDP1ALOX15
SCHEMBL3254789 0.81 PKM (0.51) BRAFKDM4EPOLBTDP1ALOX15

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 BRAF 38/4885KDM4E 1970/4885POLB 1007/4885

“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.