SCHEMBL18129705

SCHEMBL18129705

CC(=O)Nc1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)O)CC4)c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.60
DYRK1A Q13627 2/20 0.60
DYRK2 Q92630 2/20 0.60
DYRK1B Q9Y463 2/20 0.60
BTK Q06187 7/20 0.50
TNIK Q9UKE5 1/20 0.49
NTRK1 P04629 2/20 0.47
SGK1 O00141 1/20 0.47
MAP3K11 Q16584 1/20 0.47
KIT P10721 1/20 0.46
RIPK1 Q13546 2/20 0.46
IGF1R P08069 1/20 0.46
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45

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
SCHEMBL18129580 0.90 NTRK1 (0.61) BTKTNIKNTRK1KITRIPK1
SCHEMBL18129686 0.89 SGK1 (0.61) CLK1DYRK1ADYRK2DYRK1BBTK
SCHEMBL18129529 0.89 DYRK1A (0.55) CLK1DYRK1ADYRK2DYRK1BBTK
SCHEMBL18129733 0.88 CLK1 (0.55) CLK1DYRK1ADYRK2DYRK1BBTK
SCHEMBL18129706 0.85 CAMKK2 (0.50) CLK1DYRK1ADYRK2DYRK1BBTK
SCHEMBL18129616 0.85 SGK1 (0.63) DYRK1ABTKSGK1MAP3K11
SCHEMBL18129516 0.84 BTK (0.51) BTKTNIKSGK1MAP3K11KIT
SCHEMBL18129654 0.84 BTK (0.46) CLK1DYRK1ADYRK2DYRK1BBTK
SCHEMBL18129685 0.83 MAP4K1 (0.48) CLK1DYRK1ADYRK2DYRK1BBTK
SCHEMBL18129741 0.83 MAP3K11 (0.50) DYRK1ABTKSGK1MAP3K11KIT

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 2 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

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 CLK1 2500/4885DYRK1A 1134/4885DYRK2 794/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 CLK1 2239/4885DYRK1A 1148/4885DYRK2 863/4885

“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.