SCHEMBL4385215

SCHEMBL4385215

Cc1cc(C#Cc2ccc(F)cc2)c(Br)c(=O)n1Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
MAPK14 Q16539 4/20 0.43
GRIN1 Q05586 3/20 0.42
GRIN2B Q13224 3/20 0.42
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 3/20 0.39
GABRA1 P14867 2/20 0.39
GABRA5 P31644 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4380789 0.79 NPSR1 (0.47) NPSR1MAPK14GRIN1GRIN2BALDH1A1
SCHEMBL4380254 0.79 KDM4E (0.54) MAPK14ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL4373618 0.78 MAPK14 (0.70) MAPK14PKM
SCHEMBL4377989 0.76 SRC (0.51) NPSR1GRIN1GRIN2BALDH1A1HSD17B10
SCHEMBL4468385 0.74 KDM4E (0.53) ALDH1A1KDM4EPKMGABRA1GABRA5
SCHEMBL4381130 0.73 MAPK14 (0.72) MAPK14
SCHEMBL4390072 0.73 MAPK14 (0.48) NPSR1MAPK14GRIN1GRIN2BALDH1A1
SCHEMBL5862034 0.71 MAPK14 (0.60) MAPK14
SCHEMBL3522323 0.71 CYP3A4 (0.45) NPSR1MAPK14GRIN1GRIN2BALDH1A1
SCHEMBL5862290 0.71 MAPK14 (0.55) MAPK14

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-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 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 (2 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 NPSR1 1778/4885MAPK14 41/4885GRIN1 1283/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 NPSR1 1276/4885MAPK14 53/4885GRIN1 1420/4885

“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.