SCHEMBL18129657

SCHEMBL18129657

O=C(NC1CCCC1)N1CC=C(c2c[nH]c3ncc(-c4csc(CN5CCOCC5)c4)cc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.42
GSK3B P49841 3/20 0.42
CHEK1 O14757 2/20 0.42
MAP4K4 O95819 2/20 0.42
PIM1 P11309 2/20 0.42
PRKACA P17612 2/20 0.42
CLK2 P49760 2/20 0.42
CDK5 Q00535 2/20 0.42
PRKAA1 Q13131 2/20 0.42
ROCK1 Q13464 2/20 0.42
DYRK1A Q13627 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
DAPK3 O43293 1/20 0.42
KDR P35968 1/20 0.42
MAP2K2 P36507 1/20 0.42
MAPK8 P45983 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK8 P49336 1/20 0.42
CDK7 P50613 1/20 0.42
PRKX P51817 1/20 0.42

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
SCHEMBL18129811 0.88 HTR1D (0.42) CDK9GSK3BCHEK1MAP4K4PIM1
SCHEMBL18129652 0.88 IKBKE (0.43) CDK9GSK3BCHEK1MAP4K4PIM1
SCHEMBL18129734 0.88 MAP4K1 (0.40) CDK9GSK3BCHEK1MAP4K4PIM1
SCHEMBL18129569 0.85 TBK1 (0.42) CDK9GSK3BCHEK1MAP4K4PIM1
SCHEMBL18129571 0.85 HTR1D (0.46) CDK9GSK3BCHEK1MAP4K4PIM1
SCHEMBL18129743 0.83 BMPR1B (0.50) CDK9GSK3BPRKAA1KDRACVR1
SCHEMBL18129525 0.83 GSK3B (0.47) CDK9GSK3BCHEK1MAP4K4PIM1
SCHEMBL18129746 0.82 BMPR1B (0.55) CDK9PRKAA1ACVR1HTR1DHTR1B
SCHEMBL18129770 0.82 BMPR1B (0.52) CDK9ACVR1HTR1DHTR1BCCNT1
SCHEMBL18129488 0.82 TBK1 (0.41) CDK9GSK3BCHEK1MAP4K4PIM1

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 5 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-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 CDK9 126/4885GSK3B 450/4885CHEK1 121/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 CDK9 129/4885GSK3B 401/4885CHEK1 120/4885

“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.