SCHEMBL461787

SCHEMBL461787

Cc1ncccc1-c1nc2c(S(C)(=O)=O)cccc2cc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
FABP1 P07148 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
APOBEC3G Q9HC16 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PIK3CD O00329 1/20 0.37
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
MAPK1 P28482 2/20 0.36
NR1H2 P55055 1/20 0.36
DHODH Q02127 1/20 0.35

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
SCHEMBL27905393 0.82 TSHR (0.44) MEN1KMT2APTGS1PTGS2MAPT
SCHEMBL16712443 0.81 DHODH (0.42) PTGS1PTGS2ADORA2AADORA1FABP1
SCHEMBL456274 0.80 FABP1 (0.41) MEN1KMT2APTGS1PTGS2FABP1
SCHEMBL458798 0.79 TSHR (0.41) KMT2AKDM4EGAAMAPTMAPK1
SCHEMBL15363618 0.75 PIK3CD (0.40) PTGS1PTGS2FABP1PIK3CDMAPK1
SCHEMBL1990421 0.74 PABPC1 (0.41) PTGS1PTGS2ADORA2AADORA1MAPT
SCHEMBL4432811 0.73 PIK3CD (0.43) MEN1KMT2APTGS1PTGS2GAA
SCHEMBL15363711 0.72 PTGS2 (0.35) PTGS1PTGS2FABP1KDM4EGAA
SCHEMBL22503903 0.70 PIK3CD (0.48) MEN1KMT2APIK3CD
SCHEMBL1887556 0.69 PIK3CD (0.53) MEN1KMT2APIK3CD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614061-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2015-05-20 EP disclosed
US-9029392-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2015-05-12 US disclosed
US-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-11-07 US disclosed
EP-2614061-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2013-07-17 EP disclosed
CN-103153996-A Quinoline and quinoxaline derivatives as kinase inhibitors UCB PHARMA SA 2013-06-12 CN disclosed
WO-2012032334-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2012-03-15 WO 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-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors MAP3K13, MAP4K3, MAP3K3 MEN1 1245/4885KMT2A 1476/4885PTGS1 997/4885

“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.