SCHEMBL4120005

SCHEMBL4120005

CNC(=O)c1c[nH]c2ncc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.46
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
JAK2 O60674 1/20 0.46
ROCK2 O75116 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PRKCG P05129 1/20 0.46
INSR P06213 1/20 0.46
CDK1 P06493 1/20 0.46
FES P07332 1/20 0.46
IGF1R P08069 1/20 0.46
ROS1 P08922 1/20 0.46
FGFR1 P11362 1/20 0.46
PHKG2 P15735 1/20 0.46
FER P16591 1/20 0.46
FLT1 P17948 1/20 0.46
CDK2 P24941 1/20 0.46
MARK3 P27448 1/20 0.46
FLT4 P35916 1/20 0.46

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
SCHEMBL9887961 0.85 AURKA (0.46) SYKPLK4AURKAJAK2ROCK2
SCHEMBL1516568 0.84 DYRK1A (0.48) SYKPLK4AURKAJAK2ROCK2
SCHEMBL28089638 0.84 JAK3 (0.49) SYKPLK4AURKAJAK2ROCK2
SCHEMBL4828101 0.84 AURKA (0.54) SYKPLK4AURKAJAK2ROCK2
SCHEMBL28046056 0.84 BRAF (0.53) SYKPLK4AURKAJAK2ROCK2
SCHEMBL24479315 0.84 PDPK1 (0.40) SYKPLK4AURKAJAK2ROCK2
SCHEMBL19657575 0.83 NTRK1 (0.47) SYKJAK2FLT3JAK3DYRK1A
SCHEMBL1427263 0.82 AXL (0.63) SYKPLK4AURKAJAK2ROCK2
SCHEMBL30676600 0.82 AXL (0.63) SYKPLK4AURKAJAK2ROCK2
SCHEMBL15882691 0.81 DYRK1A (0.48) SYKPLK4AURKAJAK2ROCK2

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-20090018130-A1 Derivatives of 5-Aryl-1H-Pyrrolo [2, 3B] Pyridine-3-Carboxamide or 5-Aryl-1H-Pyrrolo [2, 3B] Pyridine-3-Carboxylic Acid ASTRAZENECA AB (SE) 2009-01-15 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-20090018130-A1 Derivatives of 5-Aryl-1H-Pyrrolo [2, 3B] Pyridine-3-Carboxamide or 5-Aryl-1H-Pyrrolo [2, 3B] Pyridine-3-Carboxylic Acid AADAC, PAH, PDE7A SYK 1208/4885PLK4 1337/4885AURKA 1725/4885

“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.