SCHEMBL9987241

SCHEMBL9987241

CCOC(=O)c1cc2ccc(Cl)cc2n1-c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.47
PLA2G2A P14555 1/20 0.47
NOD2 Q9HC29 3/20 0.47
NOD1 Q9Y239 3/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
MAT2A P31153 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL9987119 0.87 MAPK1 (0.51) NOD2NOD1BCHEACHEGAA
SCHEMBL9987118 0.82 NOD2 (0.51) NOD2NOD1MAPK1ALDH1A1ALOX15
SCHEMBL2643736 0.78 GCGR (0.51) PLA2G10NOD2NOD1MAT2AALDH1A1
SCHEMBL7626390 0.76 NOD2 (0.53) NOD2NOD1MAPK1ALDH1A1HPGD
SCHEMBL31264263 0.76 NOD2 (0.53) NOD2NOD1MAPK1ALDH1A1HPGD
SCHEMBL22760420 0.75 MAPT (0.47) NOD2NOD1GAAMAT2AMAPK1
SCHEMBL22760557 0.74 MAPT (0.51) NOD2NOD1GAAMAT2AMAPK1
SCHEMBL9986472 0.73 MAT2A (0.42) PLA2G10PLA2G2AMAT2AALDH1A1NOTUM
SCHEMBL8296756 0.73 ALDH1A1 (0.63) PLA2G10NOD2NOD1GAAALDH1A1
SCHEMBL9987274 0.72 NOTUM (0.41) PLA2G10PLA2G2AMAT2ANOTUMGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 US disclosed
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 US disclosed
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 US disclosed
WO-2011163195-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-12-29 WO disclosed
WO-2011163195-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-12-29 WO disclosed
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 US disclosed
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 US disclosed
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 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-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS PIK3R5, PIK3R4, PIK3CA PLA2G10 1465/4885PLA2G2A 850/4885NOD2 385/4885

“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.