SCHEMBL6981908

SCHEMBL6981908

C[C@H](Nc1nccc(-n2cc(C3(O)CCN(C)CC3)nc2-c2ccc(F)cc2)n1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.51
IDH1 O75874 2/20 0.47
LCK P06239 6/20 0.44
MAPK14 Q16539 4/20 0.44
MAPK13 O15264 3/20 0.44
MAPK12 P53778 3/20 0.44
MAPK11 Q15759 3/20 0.44

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
SCHEMBL28749769 1.00 MAPK9 (0.51) MAPK9IDH1LCKMAPK14MAPK13
SCHEMBL6986457 0.81 MAPK14 (0.54) MAPK9IDH1LCKMAPK14MAPK13
SCHEMBL27581646 0.80 LCK (0.53) MAPK9IDH1LCKMAPK14MAPK13
SCHEMBL6981895 0.80 LCK (0.53) MAPK9IDH1LCKMAPK14MAPK13
SCHEMBL6981907 0.80 MAPK9 (0.72) MAPK9
SCHEMBL27581621 0.79 LCK (0.53) MAPK9IDH1LCKMAPK14MAPK13
SCHEMBL6987088 0.79 LCK (0.53) MAPK9IDH1LCKMAPK14MAPK13
SCHEMBL6983920 0.78 MAPK14 (0.50) IDH1LCKMAPK14MAPK13MAPK12
SCHEMBL6986643 0.78 LCK (0.52) MAPK9IDH1LCKMAPK14MAPK13
SCHEMBL27581600 0.78 LCK (0.52) MAPK9IDH1LCKMAPK14MAPK13

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 13 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
CN-1378544-A Substituted azoles compounds NOVARTIS AG (CH) 2002-11-06 CN 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
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 14/4885IDH1 1556/4885LCK 167/4885

“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.