SCHEMBL15599449

SCHEMBL15599449

COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1I

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.54
CKS1B P61024 2/20 0.50
SKP1 P63208 2/20 0.50
SKP2 Q13309 2/20 0.50
SUV39H2 Q9H5I1 3/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
GPR119 Q8TDV5 7/20 0.44
PDE10A Q9Y233 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
PRMT5 O14744 1/20 0.42
PGK1 P00558 1/20 0.42

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
SCHEMBL2068165 0.85 MAP4K4 (0.59) MAP4K4CKS1BSKP1SKP2SUV39H2
SCHEMBL31652025 0.85 MAP4K4 (0.54) MAP4K4CKS1BSKP1SKP2SUV39H2
SCHEMBL4573541 0.85 MAP4K4 (0.54) MAP4K4CKS1BSKP1SKP2SUV39H2
SCHEMBL16333318 0.84 MAP4K4 (0.53) MAP4K4CKS1BSKP1SKP2SUV39H2
SCHEMBL31752780 0.83 MAP4K4 (0.54) MAP4K4CKS1BSKP1SKP2SUV39H2
SCHEMBL17375383 0.83 MAP4K4 (0.54) MAP4K4CKS1BSKP1SKP2SUV39H2
SCHEMBL16333807 0.83 MAP4K4 (0.52) MAP4K4CKS1BSKP1SKP2SUV39H2
SCHEMBL4573681 0.82 MAP4K4 (0.51) MAP4K4CKS1BSKP1SKP2SUV39H2
SCHEMBL2067786 0.81 ALDH1A1 (0.55) MAP4K4CKS1BSKP1SKP2SUV39H2
SCHEMBL17310233 0.81 MAP4K4 (0.54) MAP4K4CKS1BSKP1SKP2SUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 US disclosed
US-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 US disclosed
WO-2014006554-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-01-09 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 (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-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K6 MAP4K4 54/4885CKS1B 102/4885SKP1 463/4885

“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.