SCHEMBL6670050

SCHEMBL6670050

CCOCn1nnc(-c2cccc(C(F)(F)F)c2)c1-c1ccnc(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.44
KMO O15229 1/20 0.37
UBE2N P61088 1/20 0.35
TDO2 P48775 1/20 0.35
GSK3B P49841 4/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
XPO1 O14980 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MAPK13 O15264 3/20 0.34
MAPK12 P53778 3/20 0.34
MAPK11 Q15759 3/20 0.34
MAPK9 P45984 2/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6772984 0.93 MAPK14 (0.44) MAPK14KMOUBE2NGSK3BMEN1
SCHEMBL6772180 0.85 MAPK14 (0.42) MAPK14KMOGSK3BGPR55KDM4E
SCHEMBL6784447 0.84 MAPK14 (0.39) MAPK14KMOUBE2NTDO2GSK3B
SCHEMBL6784449 0.83 MAPK14 (0.45) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL6612309 0.81 MAPK14 (0.54) MAPK14MAPTKDM4EALDH1A1MAPK9
SCHEMBL6669636 0.78 MAPK14 (0.40) MAPK14KMOGPR55KDM4EMAPK13
SCHEMBL6613288 0.74 MAPK14 (0.54) MAPK14MAPTKDM4EALDH1A1HPGD
SCHEMBL6612848 0.74 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6786356 0.74 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6612844 0.74 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9

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
US-6727364-B2 ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY 2004-04-27 US disclosed
EP-1383759-A1 TRIAZOLE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY The Procter & Gamble Company (US) 2004-01-28 EP disclosed
US-20030013712-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity PROCTER & GAMBLE COMPANY, THE 2003-01-16 US disclosed
WO-2002088108-A1 TRIAZOLE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2002-11-07 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-20030013712-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity IL4, IL1A, IL2 MAPK14 3429/4885KMO 516/4885UBE2N 4083/4885

“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.