SCHEMBL6987170

SCHEMBL6987170

COc1ccc(-c2cn(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3ccc(F)cc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.51
HTR7 P34969 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
HTR2C P28335 1/20 0.51
IDH1 O75874 4/20 0.48
LCK P06239 8/20 0.48
MAPK13 O15264 4/20 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
FRK P42685 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 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
SCHEMBL6981895 0.93 LCK (0.53) ADRA1DHTR7ADRA1AADRA1BHTR2C
SCHEMBL27581646 0.93 LCK (0.53) ADRA1DHTR7ADRA1AADRA1BHTR2C
SCHEMBL6985098 0.90 LCK (0.57) ADRA1DHTR7ADRA1AADRA1BHTR2C
SCHEMBL27560843 0.90 LCK (0.57) ADRA1DHTR7ADRA1AADRA1BHTR2C
SCHEMBL6986643 0.87 LCK (0.52) ADRA1DHTR7ADRA1AADRA1BHTR2C
SCHEMBL27581600 0.87 LCK (0.52) ADRA1DHTR7ADRA1AADRA1BHTR2C
SCHEMBL6983078 0.85 JAK2 (0.52) IDH1LCKMAPK13MAPK12MAPK11
SCHEMBL27581640 0.85 JAK2 (0.52) IDH1LCKMAPK13MAPK12MAPK11
SCHEMBL6984979 0.85 IDH1 (0.48) ADRA1DHTR7ADRA1AADRA1BHTR2C
SCHEMBL27581620 0.85 IDH1 (0.48) ADRA1DHTR7ADRA1AADRA1BHTR2C

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 6 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
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
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 ADRA1D 963/4885HTR7 4066/4885ADRA1A 730/4885

“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.