SCHEMBL16206853

SCHEMBL16206853

CCc1nc(C(N)=O)c(Nc2ccc(N3CCOCC3)c(F)c2)nc1N[C@@H]1CCNC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 11/20 0.74
▸ ALK Q9UM73 11/20 0.74
▸ FLT3 P36888 9/20 0.74
▸ RET P07949 8/20 0.74
▸ ROS1 P08922 8/20 0.74
▸ KIT P10721 1/20 0.60
▸ AXL P30530 6/20 0.56
▸ ETV6 P41212 3/20 0.55
▸ BMPR1B O00238 1/20 0.55
▸ PLK4 O00444 1/20 0.55
▸ CIT O14578 1/20 0.55
▸ AURKA O14965 1/20 0.55
▸ GAK O14976 1/20 0.55
▸ EPHB6 O15197 1/20 0.55
▸ RIPK2 O43353 1/20 0.55
▸ BUB1 O43683 1/20 0.55
▸ SNRNP200 O75643 1/20 0.55
▸ STK16 O75716 1/20 0.55
▸ STK10 O94804 1/20 0.55
▸ MAP4K4 O95819 1/20 0.55

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
SCHEMBL16206844 0.92 EML4 (0.70) EML4ALKFLT3RETROS1
SCHEMBL282851 0.85 EML4 (1.00) EML4ALKFLT3RETROS1
SCHEMBL16207084 0.84 FLT3 (0.70) EML4ALKFLT3RETROS1
SCHEMBL16206848 0.82 ALK (0.68) EML4ALKFLT3RETROS1
SCHEMBL10129872 0.81 FLT3 (0.88) EML4ALKFLT3RETROS1
SCHEMBL16195714 0.81 FLT3 (0.66) EML4ALKFLT3RETROS1
SCHEMBL16206836 0.81 EML4 (0.61) EML4ALKFLT3RETROS1
SCHEMBL10129889 0.80 FLT3 (0.77) EML4ALKFLT3RETROS1
SCHEMBL16206803 0.80 EML4 (0.77) EML4ALKFLT3RETROS1
SCHEMBL21455129 0.79 FLT3 (0.82) EML4ALKFLT3RETROS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805940-B1 PYRAZINE CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-11-23 — — EP disclosed
US-9085540-B2 Pyrazinecarboxamide compound ASTELLAS PHARMA INC. (JP) 2015-07-21 — — US disclosed
US-9085540-B2 Pyrazinecarboxamide compound ASTELLAS PHARMA INC. (JP) 2015-07-21 — — US disclosed
US-20140323463-A1 PYRAZINECARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-10-30 — — US disclosed
US-20140323463-A1 PYRAZINECARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-10-30 — — 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-20140323463-A1 PYRAZINECARBOXAMIDE COMPOUND EGFR, ERBB2, ALK EML4 158/4885ALK 3/4885FLT3 24/4885

“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.

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