SCHEMBL16206878

SCHEMBL16206878

CC(C)(C)OC(=O)N1CC[C@@H](Nc2nc(Nc3ccc(N4CCC(=O)CC4)cc3)c(C(N)=O)nc2Cl)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.57
▸ EML4 Q9HC35 9/20 0.45
▸ ALK Q9UM73 9/20 0.45
▸ RET P07949 8/20 0.45
▸ ROS1 P08922 8/20 0.45
▸ FLT3 P36888 8/20 0.45
▸ SYK P43405 1/20 0.44
▸ GPR119 Q8TDV5 2/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CCNK O75909 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ CDK9 P50750 1/20 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
SCHEMBL16206881 0.91 BTK (0.55) BTKEML4ALKRETROS1
SCHEMBL16206826 0.90 EML4 (0.56) BTKEML4ALKRETROS1
SCHEMBL16206882 0.88 RET (0.59) BTKEML4ALKRETROS1
SCHEMBL16206875 0.88 BTK (0.57) BTKEML4ALKRETROS1
SCHEMBL10129238 0.84 EML4 (0.61) BTKEML4ALKRETROS1
SCHEMBL16206896 0.81 RET (0.61) BTKEML4ALKRETROS1
SCHEMBL16196361 0.79 EML4 (0.59) EML4ALKRETROS1FLT3
SCHEMBL16206879 0.79 BTK (0.51) BTKEML4ALKRETROS1
SCHEMBL16206885 0.79 RET (0.58) BTKEML4ALKRETROS1
SCHEMBL16206876 0.79 BTK (0.55) BTKEML4ALKRETROS1

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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