SCHEMBL18129596

SCHEMBL18129596

CCN1CC=C(c2c[nH]c3ncc(-c4ccc(CN5CCOCC5)s4)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
TBK1 Q9UHD2 11/20 0.42
IKBKE Q14164 10/20 0.42
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
KIT P10721 1/20 0.39
IL2 P60568 1/20 0.39
NTRK1 P04629 1/20 0.39
TNIK Q9UKE5 1/20 0.38

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
SCHEMBL18129644 0.93 MAP4K1 (0.45) MAP4K1TBK1IKBKEHTR1ADRD2
SCHEMBL18129699 0.91 MAP4K1 (0.46) MAP4K1TBK1IKBKEKITTNIK
SCHEMBL18129504 0.88 TBK1 (0.45) MAP4K1TBK1IKBKE
SCHEMBL18129806 0.87 TBK1 (0.45) MAP4K1TBK1IKBKENTRK1
SCHEMBL18129599 0.86 TBK1 (0.42) MAP4K1TBK1IKBKE
SCHEMBL18129502 0.85 CHEK1 (0.43) MAP4K1TBK1IKBKE
SCHEMBL18129662 0.85 TBK1 (0.42) MAP4K1TBK1IKBKE
SCHEMBL18129472 0.85 CHEK1 (0.46) MAP4K1TBK1IKBKE
SCHEMBL18129487 0.85 CHEK1 (0.44) MAP4K1TBK1IKBKE
SCHEMBL18129663 0.84 GABRP (0.44) MAP4K1TBK1IKBKE

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 MAP4K1 766/4885KDM4E 320/4885LMNA 2773/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 MAP4K1 858/4885KDM4E 301/4885LMNA 2661/4885

“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.