SCHEMBL18129474

SCHEMBL18129474

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.49
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
RIPK1 Q13546 1/20 0.45
CDK9 P50750 2/20 0.44
CCNT1 O60563 1/20 0.44
PIK3CG P48736 1/20 0.42
SGK2 Q9HBY8 3/20 0.41
AURKA O14965 2/20 0.41
CAMKK2 Q96RR4 2/20 0.41
SGK1 O00141 1/20 0.41
CAMKK1 Q8N5S9 1/20 0.41
SGK3 Q96BR1 1/20 0.41
EPHX2 P34913 1/20 0.40
BTK Q06187 6/20 0.40
MAP3K11 Q16584 1/20 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

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) DYRK1AHTR1DHTR1BRIPK1CDK9
SCHEMBL18129485 0.91 RIPK1 (0.47) DYRK1AHTR1DHTR1BRIPK1CDK9
SCHEMBL18129751 0.91 HTR1D (0.45) DYRK1AHTR1DHTR1BRIPK1CDK9
SCHEMBL18129692 0.91 HTR1D (0.47) DYRK1AHTR1DHTR1BRIPK1CDK9
SCHEMBL18129544 0.91 HTR1D (0.48) DYRK1AHTR1DHTR1BRIPK1CDK9
SCHEMBL18129497 0.88 HTR1D (0.47) DYRK1AHTR1DHTR1BRIPK1CDK9
SCHEMBL18129470 0.88 GAA (0.44) HTR1DHTR1BRIPK1CDK9CCNT1
SCHEMBL18129767 0.86 DYRK1A (0.56) DYRK1APIK3CGSGK2CAMKK2SGK1
SCHEMBL18129610 0.86 DYRK1A (0.49) DYRK1ARIPK1PIK3CGSGK2AURKA
SCHEMBL18129670 0.86 DYRK1A (0.48) DYRK1APIK3CGSGK2AURKACAMKK2

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 DYRK1A 1134/4885HTR1D 4188/4885HTR1B 3814/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 DYRK1A 1148/4885HTR1D 4158/4885HTR1B 3903/4885

“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.