SCHEMBL16206874

SCHEMBL16206874

CC(C)(C)OC(=O)N1CC[C@@H](Nc2cnc(C(N)=O)c(Nc3ccc(N4CCC5(CC4)OCCO5)cc3)n2)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.55
▸ SYK P43405 1/20 0.47
▸ JAK3 P52333 8/20 0.45
▸ LCK P06239 7/20 0.45
▸ EGFR P00533 3/20 0.44
▸ JAK2 O60674 4/20 0.42
▸ JAK1 P23458 4/20 0.42
▸ GPR119 Q8TDV5 1/20 0.41
▸ EML4 Q9HC35 2/20 0.40
▸ ALK Q9UM73 2/20 0.40

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
SCHEMBL16206801 0.90 BTK (0.49) BTKSYKJAK3LCKEGFR
SCHEMBL16195530 0.89 BTK (0.43) BTKSYKJAK3LCKEGFR
SCHEMBL16206876 0.87 BTK (0.55) BTKSYKJAK3LCKEGFR
SCHEMBL16206875 0.87 BTK (0.57) BTKSYKJAK3LCKEGFR
SCHEMBL10129237 0.81 RET (0.55) BTKSYKJAK3LCKEGFR
SCHEMBL16195649 0.81 ALK (0.45) BTKSYKJAK3LCKJAK2
SCHEMBL17690593 0.79 SYK (0.50) BTKSYKJAK3LCKEGFR
SCHEMBL16206822 0.78 EML4 (0.53) BTKEML4ALK
SCHEMBL14956008 0.75 SYK (0.65) SYKEML4ALK
SCHEMBL16195774 0.75 EML4 (0.47) BTKSYKJAK3LCKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085540-B2 Pyrazinecarboxamide compound ASTELLAS PHARMA INC. (JP) 2015-07-21 — — US disclosed
EP-2805940-A1 PYRAZINE CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2014-11-26 — — EP 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 BTK 95/4885SYK 439/4885JAK3 175/4885

“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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