SCHEMBL18129552

SCHEMBL18129552

CS(=O)(=O)c1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)OC5CCCC5)CC4)c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.44
JAK3 P52333 2/20 0.42
CAMKK2 Q96RR4 3/20 0.42
MAP4K1 Q92918 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
AURKA O14965 2/20 0.40
SGK2 Q9HBY8 2/20 0.40
SGK1 O00141 1/20 0.40
CAMKK1 Q8N5S9 1/20 0.40
SGK3 Q96BR1 1/20 0.40
DYRK1A Q13627 3/20 0.40
MAP3K11 Q16584 2/20 0.40
CLK1 P49759 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39

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
SCHEMBL18129641 0.92 BTK (0.43) BTKCAMKK2MAP4K1AURKASGK2
SCHEMBL18129610 0.92 DYRK1A (0.49) BTKCAMKK2MAP4K1AURKASGK2
SCHEMBL18129478 0.92 CAMKK2 (0.52) BTKJAK3CAMKK2AURKASGK2
SCHEMBL18129513 0.92 IGF1R (0.45) BTKCAMKK2MAP4K1AURKASGK2
SCHEMBL18129537 0.91 BTK (0.42) BTKCAMKK2MAP4K1AURKASGK2
SCHEMBL18129607 0.89 MAP4K1 (0.45) BTKMAP4K1FLT3
SCHEMBL18129523 0.86 HTR1D (0.48) BTKJAK3CAMKK2MAP4K1AURKA
SCHEMBL18129467 0.86 GPR119 (0.50) BTKCAMKK2MAP4K1GPR119SGK1
SCHEMBL18129462 0.86 MAP3K11 (0.49) BTKCAMKK2MAP4K1GPR119AURKA
SCHEMBL18129706 0.86 CAMKK2 (0.50) BTKCAMKK2MAP4K1SGK1DYRK1A

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 BTK 100/4885JAK3 185/4885CAMKK2 387/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 BTK 114/4885JAK3 207/4885CAMKK2 366/4885

“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.