SCHEMBL6778046

SCHEMBL6778046

O=C(N1CCCCC1)n1nnc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.45
MAPK13 O15264 7/20 0.44
MAPK12 P53778 7/20 0.44
MAPK11 Q15759 7/20 0.44
RIPK3 Q9Y572 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
CASP1 P29466 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NAMPT P43490 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
SCHEMBL6768369 0.88 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL6622348 0.80 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6614449 0.80 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6623836 0.80 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6771967 0.77 NPSR1 (0.43) MAPK14SMN1; SMN2RAB9AALDH1A1ALOX15
SCHEMBL6772320 0.77 NPSR1 (0.43) MAPK14SMN1; SMN2RAB9AALDH1A1ALOX15
SCHEMBL6773354 0.77 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6774189 0.77 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6688808 0.76 MGAM (0.50) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL6773768 0.75 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11

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
US-6727364-B2 ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY 2004-04-27 US claimed
US-20030013712-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity PROCTER & GAMBLE COMPANY, THE 2003-01-16 US claimed
US-6727364-B2 ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY 2004-04-27 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-20030013712-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity IL4, IL1A, IL2 MAPK14 3429/4885MAPK13 4097/4885MAPK12 4447/4885

“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.