SCHEMBL6981907

SCHEMBL6981907

CN1CCC(O)(c2cn(-c3ccnc(NC4CCCCC4)n3)c(-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 3/20 0.72
EGFR P00533 4/20 0.55
MAPK8 P45983 3/20 0.55
HRH4 Q9H3N8 3/20 0.52
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
IKBKB O14920 1/20 0.39
RAF1 P04049 1/20 0.39
ERBB2 P04626 1/20 0.39
KDR P35968 1/20 0.39
MAPK10 P53779 2/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6982664 0.84 MAPK9 (1.00) MAPK9EGFRMAPK8HRH4KDR
SCHEMBL6985864 0.80 MAPK9 (0.94) MAPK9HRH4KDRCYP3A4
SCHEMBL28749769 0.80 MAPK9 (0.51) MAPK9
SCHEMBL6981908 0.80 MAPK9 (0.51) MAPK9
SCHEMBL5818443 0.73 KCNH2 (0.45) EGFRIKBKB
SCHEMBL5818943 0.72 KCNH2 (0.46) EGFRIKBKB
SCHEMBL6485328 0.71 EGFR (1.00) MAPK9EGFRMAPK8HRH4MAPK10
SCHEMBL23173867 0.71 HRH4 (0.97) MAPK9EGFRMAPK8HRH4
SCHEMBL1588158 0.70 HRH4 (1.00) MAPK9EGFRMAPK8HRH4IKBKB
SCHEMBL6478238 0.70 EGFR (0.97) MAPK9EGFRMAPK8HRH4IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224180-B1 SUBSTITUTED AZOLES NOVARTIS AG (CH) 2003-07-02 EP claimed
US-6579874-B2 P38 MAP kinase inhibitors; treating Tumor necrosis factor (TNF-alpha) and Interleukin-1 mediated diseases, such as rheumatoid arthritis; imidazole and oxazole derivatives NOVARTIS AG (CH) 2003-06-17 US claimed
CN-1378544-A Substituted azoles compounds NOVARTIS AG (CH) 2002-11-06 CN claimed
US-20020049220-A1 Substituted azoles NOVARTIS AG (CH) 2002-04-25 US claimed
EP-1224180-B1 SUBSTITUTED AZOLES NOVARTIS AG (CH) 2003-07-02 EP disclosed
US-6579874-B2 P38 MAP kinase inhibitors; treating Tumor necrosis factor (TNF-alpha) and Interleukin-1 mediated diseases, such as rheumatoid arthritis; imidazole and oxazole derivatives NOVARTIS AG (CH) 2003-06-17 US disclosed
CN-1378544-A Substituted azoles compounds NOVARTIS AG (CH) 2002-11-06 CN disclosed
EP-1224180-A2 SUBSTITUTED AZOLES Novartis AG (CH) 2002-07-24 EP disclosed
US-20020049220-A1 Substituted azoles NOVARTIS AG (CH) 2002-04-25 US disclosed
WO-2000063204-A2 SUBSTITUTED AZOLES NOVARTIS AG (CH) 2000-10-26 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-20020049220-A1 Substituted azoles MAPK1, MAPK4, MAP3K1 MAPK9 14/4885EGFR 3432/4885MAPK8 7/4885

“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.