SCHEMBL16195774

SCHEMBL16195774

NC(=O)c1nc(Br)c(N[C@@H]2CCN(C(=O)O)C2)nc1Nc1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 8/20 0.47
▸ ALK Q9UM73 8/20 0.47
▸ RET P07949 11/20 0.47
▸ ROS1 P08922 11/20 0.47
▸ FLT3 P36888 11/20 0.47
▸ BTK Q06187 3/20 0.43
▸ EGFR P00533 2/20 0.43
▸ LCK P06239 2/20 0.43
▸ JAK3 P52333 1/20 0.42
▸ SYK P43405 4/20 0.41

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
SCHEMBL16206876 0.89 BTK (0.55) EML4ALKRETROS1FLT3
SCHEMBL16195530 0.86 BTK (0.43) EML4ALKRETROS1FLT3
SCHEMBL16195836 0.82 RET (0.62) EML4ALKRETROS1FLT3
SCHEMBL16206875 0.80 BTK (0.57) EML4ALKRETROS1FLT3
SCHEMBL16195501 0.79 EML4 (0.56) EML4ALKRETROS1FLT3
SCHEMBL16206874 0.75 BTK (0.55) EML4ALKBTKEGFRLCK
SCHEMBL16206881 0.75 BTK (0.55) EML4ALKRETROS1FLT3
SCHEMBL16195365 0.75 RET (0.66) EML4ALKRETROS1FLT3
SCHEMBL16195649 0.74 ALK (0.45) EML4ALKRETROS1FLT3
SCHEMBL16207100 0.74 EGFR (0.67) EML4ALKRETROS1FLT3

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 4 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
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 EML4 158/4885ALK 3/4885RET 6/4885

“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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