SCHEMBL18129582

SCHEMBL18129582

Nc1nc2[nH]ccc2cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.40
MAPK1 P28482 1/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
PRKCI P41743 1/20 0.37
CDK8 P49336 4/20 0.37
AXL P30530 2/20 0.37
AHR P35869 2/20 0.35
CYP2A6 P11509 1/20 0.35
NR4A2 P43354 1/20 0.35
NUDT1 P36639 1/20 0.35
RIPK1 Q13546 3/20 0.35
DYRK1A Q13627 1/20 0.34
DHFR P00374 1/20 0.34
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL24005747 0.79 CDK8 (0.39) MAPK1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4242878 0.76 ALDH1A1 (0.44) CSNK2A1MAPK1PIK3CAPIK3CDPIK3CB
SCHEMBL1565089 0.76 AXL (0.41) CSNK2A1MAPK1PIK3CAPIK3CDPIK3CB
SCHEMBL1565481 0.76 CSNK2A1 (0.48) CSNK2A1MAPK1PIK3CAPIK3CDPIK3CB
SCHEMBL24005901 0.74 PIK3CA (0.36) PIK3CAPIK3CDPIK3CBPIK3CGCDK8
SCHEMBL24005702 0.72 MAP4K1 (0.37) PIK3CAPIK3CDPIK3CBPIK3CGCDK8
SCHEMBL24005537 0.72 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPIK3CGCDK8
SCHEMBL21639429 0.72 RIPK1 (0.43) CSNK2A1MAPK1PIK3CAPIK3CDPIK3CB
SCHEMBL25346767 0.72 BRD4 (0.42) CSNK2A1MAPK1PIK3CAPIK3CDPIK3CB
SCHEMBL25613108 0.72 ULK1 (0.39) PIK3CAPIK3CDPIK3CBPIK3CGCDK8

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 3 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 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 CSNK2A1 240/4885MAPK1 1578/4885PIK3CA 189/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 CSNK2A1 200/4885MAPK1 1760/4885PIK3CA 204/4885

“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.