SCHEMBL16206876

SCHEMBL16206876

CC(C)(C)OC(=O)N1CC[C@@H](Nc2nc(Nc3ccc(N4CCC5(CC4)OCCO5)cc3)c(C(N)=O)nc2Br)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.55
▸ EML4 Q9HC35 7/20 0.45
▸ ALK Q9UM73 7/20 0.45
▸ SYK P43405 1/20 0.45
▸ RET P07949 9/20 0.45
▸ ROS1 P08922 9/20 0.45
▸ FLT3 P36888 9/20 0.45
▸ GPR119 Q8TDV5 2/20 0.41
▸ LCK P06239 3/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ EGFR P00533 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
SCHEMBL16206875 0.91 BTK (0.57) BTKEML4ALKSYKRET
SCHEMBL16195774 0.89 EML4 (0.47) BTKEML4ALKSYKRET
SCHEMBL16206881 0.88 BTK (0.55) BTKEML4ALKSYKRET
SCHEMBL16206874 0.87 BTK (0.55) BTKEML4ALKSYKGPR119
SCHEMBL16206885 0.84 RET (0.58) BTKEML4ALKSYKRET
SCHEMBL16206822 0.82 EML4 (0.53) BTKEML4ALKRETROS1
SCHEMBL16206878 0.79 BTK (0.57) BTKEML4ALKSYKRET
SCHEMBL16206896 0.78 RET (0.61) BTKEML4ALKSYKRET
SCHEMBL16206801 0.78 BTK (0.49) BTKEML4ALKSYKRET
SCHEMBL16206882 0.76 RET (0.59) BTKEML4ALKSYKRET

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 95/4885EML4 158/4885ALK 3/4885

“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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