Sugi Predict

Sugi Predict / Compounds / SCHEMBL6982306

SCHEMBL6982306

SCHEMBL6982306

C[C@H](Nc1nccc(-n2cc([N+]3(O)CCC(C(=O)OC(C)(C)C)CC3)nc2-c2ccc(F)cc2)n1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 10/20 0.41
▸ ADRA1D P25100 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ MAPK14 Q16539 4/20 0.39
▸ MAPK13 O15264 3/20 0.39
▸ MAPK12 P53778 3/20 0.39
▸ MAPK11 Q15759 3/20 0.39
▸ LCK P06239 3/20 0.38

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
SCHEMBL6986129 0.91 IDH1 (0.43) IDH1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6982542 0.84 IDH1 (0.47) IDH1ADRA1DHTR2CHTR7ADRA1A
SCHEMBL6981916 0.78 MAPK14 (0.45) IDH1ADRA1DHTR2CHTR7ADRA1A
SCHEMBL6982179 0.77 IDH1 (0.47) IDH1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6981895 0.74 LCK (0.53) IDH1ADRA1DHTR2CHTR7ADRA1A
SCHEMBL27581646 0.74 LCK (0.53) IDH1ADRA1DHTR2CHTR7ADRA1A
SCHEMBL6983920 0.74 MAPK14 (0.50) IDH1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6987088 0.73 LCK (0.53) IDH1ADRA1DHTR2CHTR7ADRA1A
SCHEMBL27581621 0.73 LCK (0.53) IDH1ADRA1DHTR2CHTR7ADRA1A
SCHEMBL6987129 0.73 IDH1 (0.48) IDH1MAPK14MAPK13MAPK12MAPK11

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 IDH1 1556/4885ADRA1D 963/4885HTR2C 4550/4885

“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.