SCHEMBL18129692

SCHEMBL18129692

CNS(=O)(=O)c1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)NC5CCCC5)CC4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
CDK9 P50750 3/20 0.45
CCNT1 O60563 2/20 0.45
RIPK1 Q13546 1/20 0.44
BTK Q06187 6/20 0.41
DYRK1A Q13627 5/20 0.40
SGK2 Q9HBY8 3/20 0.40
CHEK1 O14757 3/20 0.40
MAP4K4 O95819 3/20 0.40
PIM1 P11309 3/20 0.40
PRKACA P17612 3/20 0.40
CLK2 P49760 3/20 0.40
GSK3B P49841 3/20 0.40
CDK5 Q00535 3/20 0.40
PRKAA1 Q13131 3/20 0.40
ROCK1 Q13464 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
AURKA O14965 2/20 0.40
CHEK2 O96017 2/20 0.40

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
SCHEMBL18129523 0.92 HTR1D (0.48) HTR1DHTR1BCDK9CCNT1RIPK1
SCHEMBL18129564 0.92 RIPK1 (0.46) HTR1DHTR1BCDK9CCNT1RIPK1
SCHEMBL18129544 0.91 HTR1D (0.48) HTR1DHTR1BCDK9CCNT1RIPK1
SCHEMBL18129474 0.91 DYRK1A (0.49) HTR1DHTR1BCDK9CCNT1RIPK1
SCHEMBL18129751 0.90 HTR1D (0.45) HTR1DHTR1BCDK9CCNT1RIPK1
SCHEMBL18129497 0.89 HTR1D (0.47) HTR1DHTR1BCDK9CCNT1RIPK1
SCHEMBL18129654 0.87 BTK (0.46) BTKDYRK1ASGK2CHEK1MAP4K4
SCHEMBL18129641 0.87 BTK (0.43) BTKDYRK1ASGK2CHEK1MAP4K4
SCHEMBL18129470 0.86 GAA (0.44) HTR1DHTR1BCDK9CCNT1RIPK1
SCHEMBL18129620 0.86 CCNT1 (0.45) HTR1DHTR1BCDK9CCNT1

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 HTR1D 4188/4885HTR1B 3814/4885CDK9 126/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 HTR1D 4158/4885HTR1B 3903/4885CDK9 129/4885

“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.