SCHEMBL6985864

SCHEMBL6985864

CN1CCC(O)(c2cn(-c3ccnc(NC4CC4)n3)c(-c3cccc(C(F)(F)F)c3)n2)CC1

nearest known ligand 0.94

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.94
IDH2 P48735 1/20 0.42
PIM1 P11309 9/20 0.42
HRH4 Q9H3N8 1/20 0.42
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MAPK14 Q16539 2/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37

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 0.97 MAPK9 (1.00) MAPK9IDH2PIM1HRH4FLT1
SCHEMBL6981907 0.80 MAPK9 (0.72) MAPK9HRH4KDRCYP3A4
SCHEMBL6981902 0.80 MAPK9 (0.62) MAPK9PIM1FLT1FLT4KDR
SCHEMBL6986720 0.77 MAPK9 (0.67) MAPK9PIM1HRH4FLT1FLT4
SCHEMBL5813665 0.75 MAPK9 (0.57) MAPK9IDH2PIM1MAPK14KCNH2
SCHEMBL7189430 0.74 MAPK9 (0.63) MAPK9PIM1FLT1FLT4KDR
SCHEMBL7664658 0.74 MAPK9 (0.61) MAPK9PIM1CYP3A4CYP2C9
SCHEMBL5817940 0.72 MAPK9 (0.61) MAPK9IDH2PIM1HRH4MAPK14
SCHEMBL5819246 0.72 MAPK9 (0.60) MAPK9IDH2PIM1MAPK14KCNH2
SCHEMBL28749769 0.69 MAPK9 (0.51) MAPK9MAPK14MAPK13MAPK12MAPK11

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 11 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
JP-2003503311-A 2003-01-28 JP claimed
EP-1224180-A2 SUBSTITUTED AZOLES Novartis AG (CH) 2002-07-24 EP claimed
US-20020049220-A1 Substituted azoles NOVARTIS AG (CH) 2002-04-25 US claimed
WO-2000063204-A2 SUBSTITUTED AZOLES NOVARTIS AG (CH) 2000-10-26 WO 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
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 14/4885IDH2 2032/4885PIM1 472/4885

“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.