SCHEMBL4053840

SCHEMBL4053840

CCOC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.61
MAP4K4 O95819 3/20 0.61
PIM1 P11309 3/20 0.61
PRKACA P17612 3/20 0.61
CLK2 P49760 3/20 0.61
GSK3B P49841 3/20 0.61
CDK5 Q00535 3/20 0.61
PRKAA1 Q13131 3/20 0.61
ROCK1 Q13464 3/20 0.61
DYRK1A Q13627 3/20 0.61
CLK4 Q9HAZ1 3/20 0.61
CHEK2 O96017 2/20 0.61
PRKCG P05129 2/20 0.61
CDK1 P06493 2/20 0.61
FGFR1 P11362 2/20 0.61
RPS6KB1 P23443 2/20 0.61
CDK2 P24941 2/20 0.61
MARK3 P27448 2/20 0.61
MAPK1 P28482 2/20 0.61
FLT4 P35916 2/20 0.61

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
SCHEMBL18129748 0.93 MAP4K4 (0.58) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL18129721 0.91 PRKACA (0.56) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL18129543 0.90 PRKACA (0.56) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1850198 0.88 CHEK1 (0.62) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL18129608 0.88 CHEK1 (0.60) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL18129736 0.87 MAP4K4 (0.59) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL18129469 0.87 CHEK1 (0.62) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL2267096 0.87 CHEK1 (0.58) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL18324729 0.86 CHEK1 (0.63) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1850487 0.85 BTK (0.64) CHEK1MAP4K4PIM1PRKACACLK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7622480-B2 Selective H1 histamine receptor antagonists; bronchial asthma, allergic rhinitis, conjunctivitis, dermatitis, urticaria and other allergic diseases; e.g. 3-(4-[1-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-ylmethyl)benzoic acid LABORATORIOS ALMIRALL S.A. (ES) 2009-11-24 US disclosed
EP-1497292-B1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-06-14 EP disclosed
US-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents LABORATORIOS ALMIRALL, S.A. (ES) 2005-08-11 US disclosed
EP-1497292-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2005-01-19 EP disclosed
WO-2003082867-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2003-10-09 WO 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 (3 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-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents HRH2, HRH1, HRH4 CHEK1 4693/4885MAP4K4 2254/4885PIM1 4470/4885
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TANK, NFKBIA, TBK1 CHEK1 121/4885MAP4K4 882/4885PIM1 858/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 CHEK1 120/4885MAP4K4 995/4885PIM1 675/4885

“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.