SCHEMBL4720303

SCHEMBL4720303

Cc1nc(-c2ccc(F)cc2)c(-c2nc(C(N)=O)cs2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.50
PTGS1 P23219 3/20 0.50
CYP2C19 P33261 1/20 0.43
ACHE P22303 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
HTR2B P41595 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.38
SCN9A Q15858 1/20 0.38
GRM2 Q14416 1/20 0.38
PTGER1 P34995 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36

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
SCHEMBL4762149 0.84 RAB9A (0.51) PTGS2PTGS1ALDH1A1KDM4EHPGD
SCHEMBL16310305 0.79 TLR7 (0.57) CYP2C19ACHETLR7HTR2BALDH1A1
SCHEMBL3821967 0.74 PTGS2 (0.51) PTGS2PTGS1ALDH1A1GRM2KDM4E
SCHEMBL4761813 0.73 RAB9A (0.49) PTGS2ALDH1A1KDM4EHPGDLMNA
Isopropylamine SCHEMBL4790748 0.73 ALDH1A1 (0.43) CYP2C19ACHETLR7ALDH1A1PTGER1
SCHEMBL30689704 0.73 MAPK14 (0.54) CYP2C19ACHETLR7HTR2BALDH1A1
SCHEMBL4723586 0.73 MMP13 (0.48) PTGS2CYP2C19ALDH1A1CYP2C9KDM4E
SCHEMBL31194856 0.73 PTGS2 (0.74) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL6004876 0.70 TLR7 (0.44) TLR7SCN9ALMNANPC1POLB
SCHEMBL30689693 0.70 TNIK (0.56) MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 PTGS2 1030/4885PTGS1 561/4885CYP2C19 4679/4885

“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.