SCHEMBL6979901

SCHEMBL6979901

FCc1ccc(-c2nc(Br)cn2-c2ccnc(NC3CCCCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.46
MAPK10 P53779 8/20 0.43
IDH1 O75874 3/20 0.43
MAPK9 P45984 3/20 0.43
MAPK8 P45983 2/20 0.43
EGFR P00533 1/20 0.43
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CXCR4 P61073 1/20 0.39

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
SCHEMBL6986720 0.78 MAPK9 (0.67) HRH4MAPK10MAPK9
SCHEMBL6981902 0.73 MAPK9 (0.62) MAPK10MAPK9MAPK8CDK2
SCHEMBL1090315 0.69 HRH4 (0.77) HRH4IDH1MAPK9MAPK8EGFR
SCHEMBL6981907 0.69 MAPK9 (0.72) HRH4MAPK10MAPK9MAPK8EGFR
SCHEMBL20606073 0.68 CTSK (0.60) HRH4MAPK10MAPK9MAPK8CCNE1
SCHEMBL23174113 0.65 HRH4 (0.70) HRH4IDH1MAPK9MAPK8EGFR
SCHEMBL23173867 0.65 HRH4 (0.97) HRH4MAPK9MAPK8EGFRCCNE1
SCHEMBL5094294 0.65 MAPK8 (0.78) HRH4MAPK10IDH1MAPK9MAPK8
SCHEMBL21554287 0.64 MKNK1 (0.79) MAPK9MAPK8CCNE1CDK2
SCHEMBL1088515 0.64 CXCR4 (0.79) HRH4MAPK10CXCR4

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 HRH4 2241/4885MAPK10 33/4885IDH1 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.