SCHEMBL6768614

SCHEMBL6768614

CN(c1cccc(F)c1)c1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2C2CCNCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.44
BRD4 O60885 4/20 0.40
MAPK11 Q15759 2/20 0.40
BRDT Q58F21 2/20 0.39
PRKD3 O94806 2/20 0.39
MAP4K4 O95819 2/20 0.39
PRKACA P17612 2/20 0.39
CSNK1A1 P48729 2/20 0.39
CSNK1D P48730 2/20 0.39
MINK1 Q8N4C8 2/20 0.39
MAP4K5 Q9Y4K4 2/20 0.39
HSPB1 P04792 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
MAPK13 O15264 1/20 0.39
RIPK2 O43353 1/20 0.39
DYRK3 O43781 1/20 0.39
PRKCG P05129 1/20 0.39
LCK P06239 1/20 0.39
LYN P07948 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
SCHEMBL6767235 0.93 MAPK14 (0.41) MAPK14BRD4MAPK11BRDTPRKD3
SCHEMBL6766739 0.93 MAPK14 (0.42) MAPK14BRD4MAPK11BRDTPRKD3
SCHEMBL6763950 0.92 MAPK14 (0.42) MAPK14BRD4MAPK11BRDTPRKD3
SCHEMBL6769364 0.88 MAPK14 (0.43) MAPK14BRD4MAPK11BRDTPRKD3
SCHEMBL6767746 0.87 MAP4K4 (0.38) MAPK14MAPK11PRKD3MAP4K4CSNK1A1
SCHEMBL6768676 0.86 MAPK14 (0.42) MAPK14BRD4MAPK11BRDTPRKD3
SCHEMBL6768661 0.85 MAPK14 (0.42) MAPK14BRD4MAPK11BRDTPRKD3
SCHEMBL6768077 0.84 MAPK14 (0.65) MAPK14BRD4BRDT
SCHEMBL6768287 0.81 MAPK14 (0.37) MAPK14MAPK11PRKD3MAP4K4CSNK1A1
SCHEMBL6768619 0.81 MAPK14 (0.52) MAPK14BRD4MAPK11BRDTMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677337-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE, CACHEXIA, SEPTIC SHOCK, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2004-01-13 US claimed
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines PROCTER & GAMBLE COMPANY, THE 2003-12-04 US claimed

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-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines IL1B, IL1A, IL1R1 MAPK14 1086/4885BRD4 1592/4885MAPK11 998/4885

“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.