SCHEMBL18136457

SCHEMBL18136457

CC1CC(c2c[nH]c3ncc(Br)cc23)=CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKCG P05129 1/20 0.38
INSR P06213 1/20 0.38
CDK1 P06493 1/20 0.38
FES P07332 1/20 0.38
IGF1R P08069 1/20 0.38
ROS1 P08922 1/20 0.38
FGFR1 P11362 1/20 0.38
PHKG2 P15735 1/20 0.38
FER P16591 1/20 0.38
FLT1 P17948 1/20 0.38
CDK2 P24941 1/20 0.38
MARK3 P27448 1/20 0.38
FLT4 P35916 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
SCHEMBL20111755 0.82 HTR2A (0.44) JAK2JAK3PLK4AURKAROCK2
SCHEMBL18129577 0.82 JAK2 (0.38) JAK2JAK3PLK4AURKAROCK2
SCHEMBL12285937 0.82 GABRP (0.52) PLK4AURKAPRKD3MAP4K4PRKCG
SCHEMBL18129639 0.81 RIPK1 (0.38) JAK2JAK3PLK4AURKAROCK2
SCHEMBL18136490 0.81 RIPK1 (0.38) JAK2JAK3PLK4AURKAROCK2
SCHEMBL34474981 0.76 CCNT1 (0.49) JAK2JAK3PLK4AURKAROCK2
SCHEMBL6492149 0.74 TDO2 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6504144 0.74 HTR2A (0.36) JAK1GABRPGABRDGABRA1GABRB1
SCHEMBL6492320 0.73 HTR1D (0.37) JAK1GABRPGABRDGABRA1GABRB1
SCHEMBL1800431 0.72 USP30 (0.45) PDPK1

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 1 patent. 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 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 (1 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 JAK2 279/4885JAK3 185/4885PLK4 1103/4885

“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.