SCHEMBL18129754

SCHEMBL18129754

CC(C)NC(=O)N1CC=C(c2c[nH]c3ncc(-c4ccc(NC5CCOCC5)cc4)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.46
DYRK1A Q13627 4/20 0.46
CDK2 P24941 3/20 0.46
CHEK1 O14757 3/20 0.46
MAP4K4 O95819 3/20 0.46
PIM1 P11309 3/20 0.46
PRKACA P17612 3/20 0.46
CLK2 P49760 3/20 0.46
GSK3B P49841 3/20 0.46
CDK5 Q00535 3/20 0.46
PRKAA1 Q13131 3/20 0.46
ROCK1 Q13464 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
CHEK2 O96017 2/20 0.46
PRKCG P05129 2/20 0.46
CDK1 P06493 2/20 0.46
FGFR1 P11362 2/20 0.46
RPS6KB1 P23443 2/20 0.46
MARK3 P27448 2/20 0.46
FLT4 P35916 2/20 0.46

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
SCHEMBL18129664 0.87 CHEK1 (0.49) MAPK1DYRK1ACDK2CHEK1MAP4K4
SCHEMBL18129490 0.85 CHEK1 (0.53) MAPK1DYRK1ACDK2CHEK1MAP4K4
SCHEMBL18129529 0.85 DYRK1A (0.55) MAPK1DYRK1ACDK2CHEK1MAP4K4
SCHEMBL18129643 0.84 MAP4K1 (0.55) MAPK1DYRK1ACDK2CHEK1MAP4K4
SCHEMBL18129499 0.84 CCNT1 (0.54) MAPK1DYRK1ACDK2CHEK1MAP4K4
SCHEMBL18129598 0.84 AXL (0.56) MAPK1DYRK1ACDK2CHEK1MAP4K4
SCHEMBL18129684 0.82 DYRK1A (0.61) MAPK1DYRK1ACDK2CHEK1MAP4K4
SCHEMBL18129461 0.81 MAP3K11 (0.58) MAPK1DYRK1ACDK2CHEK1MAP4K4
SCHEMBL18129605 0.81 MAP3K11 (0.49) MAPK1DYRK1ACDK2CHEK1MAP4K4
SCHEMBL18129509 0.80 MAP3K11 (0.52) MAPK1DYRK1ACDK2CHEK1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-03-26 US claimed
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-13 US claimed
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-03-26 US disclosed
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-03-26 US disclosed
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-13 US disclosed
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-13 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 (2 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-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TANK, NFKBIA, TBK1 MAPK1 1578/4885DYRK1A 1134/4885CDK2 373/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 MAPK1 1760/4885DYRK1A 1148/4885CDK2 377/4885

“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.