SCHEMBL18129503

SCHEMBL18129503

CCS(=O)(=O)c1cccc(-c2cnc3[nH]cc(C4=CCN(C(=O)NC5CCCC5)CC4)c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
CAMKK2 Q96RR4 2/20 0.44
CDK9 P50750 2/20 0.43
CCNT1 O60563 1/20 0.43
BTK Q06187 10/20 0.43
CHEK1 O14757 3/20 0.43
FGFR1 P11362 3/20 0.43
MARK3 P27448 3/20 0.43
FLT3 P36888 3/20 0.43
GSK3A P49840 3/20 0.43
GSK3B P49841 3/20 0.43
RPS6KA3 P51812 3/20 0.43
PRKAA1 Q13131 3/20 0.43
STK3 Q13188 3/20 0.43
MARK2 Q7KZI7 3/20 0.43
AURKB Q96GD4 3/20 0.43
SLK Q9H2G2 3/20 0.43
IRAK4 Q9NWZ3 3/20 0.43

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
SCHEMBL18129540 0.92 CAMKK2 (0.53) RIPK1HTR1DHTR1BCAMKK2CDK9
SCHEMBL18129544 0.92 HTR1D (0.48) RIPK1HTR1DHTR1BCAMKK2CDK9
SCHEMBL18129564 0.91 RIPK1 (0.46) RIPK1HTR1DHTR1BCAMKK2CDK9
SCHEMBL18129485 0.91 RIPK1 (0.47) RIPK1HTR1DHTR1BCAMKK2CDK9
SCHEMBL18129701 0.88 CAMKK2 (0.51) RIPK1CAMKK2BTKCHEK1FGFR1
SCHEMBL18129477 0.87 BTK (0.46) RIPK1CAMKK2BTKCHEK1FGFR1
SCHEMBL18129799 0.87 GAA (0.46) RIPK1HTR1DHTR1BCAMKK2CDK9
SCHEMBL18129497 0.87 HTR1D (0.47) RIPK1HTR1DHTR1BCAMKK2CDK9
SCHEMBL18129523 0.85 HTR1D (0.48) RIPK1HTR1DHTR1BCAMKK2CDK9
SCHEMBL18129692 0.84 HTR1D (0.47) RIPK1HTR1DHTR1BCAMKK2CDK9

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 RIPK1 96/4885HTR1D 4188/4885HTR1B 3814/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 RIPK1 85/4885HTR1D 4158/4885HTR1B 3903/4885

“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.