SCHEMBL214868

SCHEMBL214868

COc1cccc(F)c1NC(=O)c1ncn(-c2nc(C)c(C)[nH]2)c1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.36
EED O75530 3/20 0.36
SUZ12 Q15022 2/20 0.36
EZH2 Q15910 2/20 0.36
SCN9A Q15858 2/20 0.36
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
JAK3 P52333 4/20 0.36
TYK2 P29597 2/20 0.36
CHRNA7 P36544 1/20 0.35
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
PYGL P06737 1/20 0.35
PYGM P11217 1/20 0.35
MAPK1 P28482 1/20 0.35
PDGFRA P16234 1/20 0.34
KDR P35968 1/20 0.34
ADORA2A P29274 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL214034 0.86 HTT (0.44) SCN9AMAPK1ALDH1A1
SCHEMBL215674 0.79 LMNA (0.47) SCN9AMAPK1ADORA2A
SCHEMBL213498 0.78 LMNA (0.47) SCN9AMAPK1ADORA2A
SCHEMBL215132 0.76 CYP3A4 (0.44) ALDH1A1
SCHEMBL216638 0.74 LMNA (0.35) ADORA2AALDH1A1
SCHEMBL214433 0.73 MEN1 (0.42) ALDH1A1
SCHEMBL213712 0.72 MAPT (0.46) ALDH1A1
SCHEMBL2735316 0.72 KMT2A (0.53) PDE4DMAPK1ADORA2AALDH1A1
SCHEMBL213658 0.70 MAPT (0.39) CHRNA7KDRALDH1A1
SCHEMBL216364 0.68 NTRK1 (0.49) MAPK1PDGFRAADORA2AALDH1A1

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
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 PDE4D 2214/4885EED 2554/4885SUZ12 443/4885

“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.