SCHEMBL6986457

SCHEMBL6986457

C[C@H](Nc1nccc(-n2cc(N3CCCCC3)nc2-c2ccc(F)cc2)n1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.54
MAPK13 O15264 5/20 0.54
MAPK12 P53778 4/20 0.54
MAPK11 Q15759 4/20 0.54
IDH1 O75874 3/20 0.51
LCK P06239 7/20 0.50
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
ADRA1D P25100 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
LYN P07948 1/20 0.46
MAPK1 P28482 1/20 0.46
AKT2 P31751 1/20 0.46
FLT4 P35916 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL6983920 0.90 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL6987129 0.87 IDH1 (0.48) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL6981895 0.86 LCK (0.53) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL27581646 0.86 LCK (0.53) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL6982179 0.86 IDH1 (0.47) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL6987088 0.85 LCK (0.53) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL27581621 0.85 LCK (0.53) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL6982542 0.84 IDH1 (0.47) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL6986643 0.83 LCK (0.52) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL27581600 0.83 LCK (0.52) MAPK14MAPK13MAPK12MAPK11IDH1

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 12 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-2001012183-A1 HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2001-02-22 WO 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 MAPK14 21/4885MAPK13 15/4885MAPK12 40/4885

“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.