SCHEMBL6983078

SCHEMBL6983078

C[C@H](Nc1nccc(-n2cc(-c3cccnc3)nc2-c2ccc(F)cc2)n1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
JAK3 P52333 1/20 0.52
IDH1 O75874 5/20 0.49
LCK P06239 6/20 0.48
GPR55 Q9Y2T6 3/20 0.48
MAPK13 O15264 3/20 0.47
MAPK12 P53778 3/20 0.47
MAPK11 Q15759 3/20 0.47
MAPK14 Q16539 3/20 0.47

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
SCHEMBL27581640 1.00 JAK2 (0.52) JAK2JAK3IDH1LCKGPR55
SCHEMBL27581646 0.92 LCK (0.53) JAK2JAK3IDH1LCKMAPK13
SCHEMBL6981895 0.92 LCK (0.53) JAK2JAK3IDH1LCKMAPK13
SCHEMBL27560843 0.90 LCK (0.57) JAK2JAK3IDH1LCKMAPK13
SCHEMBL6985098 0.90 LCK (0.57) JAK2JAK3IDH1LCKMAPK13
SCHEMBL27581600 0.87 LCK (0.52) JAK2JAK3IDH1LCKMAPK13
SCHEMBL6986643 0.87 LCK (0.52) JAK2JAK3IDH1LCKMAPK13
SCHEMBL6986826 0.86 LCK (0.48) JAK2JAK3IDH1LCKMAPK13
SCHEMBL28749777 0.86 LCK (0.48) JAK2JAK3IDH1LCKMAPK13
SCHEMBL6987170 0.85 ADRA1D (0.51) IDH1LCKMAPK13MAPK12MAPK11

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 8 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
US-20020049220-A1 Substituted azoles NOVARTIS AG (CH) 2002-04-25 US 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 JAK2 179/4885JAK3 440/4885IDH1 1556/4885

“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.