SCHEMBL18129508

SCHEMBL18129508

COc1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)NC(C)C)CC4)c3c2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.55
CCNT1 O60563 1/20 0.55
CDK9 P50750 1/20 0.55
PLK4 O00444 1/20 0.55
CHEK1 O14757 1/20 0.55
AURKA O14965 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
CHEK2 O96017 1/20 0.55
PRKCG P05129 1/20 0.55
CDK1 P06493 1/20 0.55
RET P07949 1/20 0.55
PIM1 P11309 1/20 0.55
FGFR1 P11362 1/20 0.55
PRKACA P17612 1/20 0.55
RPS6KB1 P23443 1/20 0.55
CDK2 P24941 1/20 0.55
MARK3 P27448 1/20 0.55
MAPK1 P28482 1/20 0.55
AKT1 P31749 1/20 0.55

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
SCHEMBL18129573 0.92 DYRK1A (0.52) DYRK1ACCNT1CDK9PLK4CHEK1
SCHEMBL18129689 0.92 KIT (0.57) DYRK1AKITMAP4K1AAK1SLC2A1
SCHEMBL18129684 0.90 DYRK1A (0.61) DYRK1ACCNT1CDK9PLK4CHEK1
SCHEMBL18136452 0.89 KIT (0.54) DYRK1AKITMAP4K1AAK1SLC2A1
SCHEMBL18129805 0.89 KIT (0.60) DYRK1AKITMAP4K1AAK1SLC2A1
SCHEMBL18129476 0.88 KIT (0.55) DYRK1AKITMAP4K1AAK1SLC2A1
SCHEMBL18129490 0.88 CHEK1 (0.53) DYRK1ACCNT1CDK9PLK4CHEK1
SCHEMBL18129496 0.88 CCNT1 (0.56) DYRK1ACCNT1CDK9KITMAP4K1
SCHEMBL18129636 0.88 CHEK1 (0.67) DYRK1ACCNT1CDK9PLK4CHEK1
SCHEMBL18129499 0.86 CCNT1 (0.54) DYRK1ACCNT1CDK9PLK4CHEK1

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 1134/4885CCNT1 2003/4885CDK9 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 DYRK1A 1148/4885CCNT1 1841/4885CDK9 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.