SCHEMBL16206805

SCHEMBL16206805

CCc1nc(C(N)=O)c(Nc2cccc(N3CCN(C)CC3)c2)nc1N1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 9/20 0.64
▸ ALK Q9UM73 9/20 0.64
▸ EGFR P00533 6/20 0.51
▸ ROS1 P08922 4/20 0.50
▸ FLT3 P36888 4/20 0.50
▸ RET P07949 3/20 0.50
▸ CDK2 P24941 3/20 0.50
▸ CDK4 P11802 1/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CCND3 P30281 1/20 0.50
▸ CDK6 Q00534 1/20 0.50
▸ AURKA O14965 1/20 0.46
▸ PTK2 Q05397 1/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ KIT P10721 1/20 0.45
▸ FGFR1 P11362 1/20 0.45

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
SCHEMBL16206817 0.89 EML4 (0.62) EML4ALKEGFRROS1FLT3
SCHEMBL16207064 0.87 EML4 (0.64) EML4ALKEGFRROS1FLT3
SCHEMBL16206806 0.85 EML4 (0.65) EML4ALKEGFRROS1FLT3
SCHEMBL16206819 0.85 ALK (0.47) EML4ALKEGFRROS1FLT3
SCHEMBL16206812 0.84 EML4 (0.64) EML4ALKEGFRROS1FLT3
SCHEMBL10127399 0.84 EML4 (0.69) EML4ALKEGFRROS1FLT3
SCHEMBL10129024 0.83 EML4 (0.59) EML4ALKEGFRFLT3CDK2
SCHEMBL16206814 0.83 EML4 (0.51) EML4ALKEGFRROS1FLT3
SCHEMBL16207342 0.83 EML4 (0.66) EML4ALKEGFRROS1FLT3
SCHEMBL10129089 0.82 EML4 (0.60) EML4ALKEGFRROS1FLT3

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
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 3/4885EGFR 1/4885

“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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