SCHEMBL18129641

SCHEMBL18129641

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.43
MAP4K1 Q92918 1/20 0.40
CAMKK2 Q96RR4 3/20 0.39
AURKA O14965 2/20 0.39
SGK2 Q9HBY8 2/20 0.39
SGK1 O00141 2/20 0.39
CAMKK1 Q8N5S9 1/20 0.39
SGK3 Q96BR1 1/20 0.39
MAP3K11 Q16584 3/20 0.39
DYRK1A Q13627 2/20 0.39
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
PRKCG P05129 1/20 0.39
CDK1 P06493 1/20 0.39
RET P07949 1/20 0.39
PIM1 P11309 1/20 0.39
FGFR1 P11362 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
SCHEMBL18129552 0.92 BTK (0.44) BTKMAP4K1CAMKK2AURKASGK2
SCHEMBL18129601 0.92 BTK (0.44) BTKCAMKK2AURKASGK2MAP3K11
SCHEMBL18129610 0.91 DYRK1A (0.49) BTKMAP4K1CAMKK2AURKASGK2
SCHEMBL18129513 0.90 IGF1R (0.45) BTKMAP4K1CAMKK2AURKASGK2
SCHEMBL18129537 0.90 BTK (0.42) BTKMAP4K1CAMKK2AURKASGK2
SCHEMBL18129607 0.87 MAP4K1 (0.45) BTKMAP4K1FLT3NTRK1
SCHEMBL18129692 0.87 HTR1D (0.47) BTKMAP4K1CAMKK2AURKASGK2
SCHEMBL18129668 0.87 GABRP (0.47) BTKMAP4K1SGK1HTR6
SCHEMBL18129654 0.86 BTK (0.46) BTKMAP4K1CAMKK2AURKASGK2
SCHEMBL18129478 0.85 CAMKK2 (0.52) BTKCAMKK2AURKASGK2MAP3K11

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 BTK 100/4885MAP4K1 766/4885CAMKK2 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 114/4885MAP4K1 858/4885CAMKK2 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.