SCHEMBL2386003

SCHEMBL2386003

Nc1ncc(-c2ccc(N3CCNCC3)nc2)cc1-c1nc2ccccc2o1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.61
KCNH2 Q12809 2/20 0.61
GRK5 P34947 6/20 0.52
ATR Q13535 1/20 0.52
AXL P30530 1/20 0.49
TGFBR1 P36897 1/20 0.49
ACVR1 Q04771 1/20 0.49
GRK2 P25098 4/20 0.49
ALK Q9UM73 1/20 0.49
FLT3 P36888 1/20 0.49

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
SCHEMBL2388637 0.89 TGFBR1 (0.63) METKCNH2GRK5TGFBR1ACVR1
SCHEMBL2384696 0.88 MET (0.64) METKCNH2ATRAXL
SCHEMBL2386643 0.85 TGFBR1 (0.64) METKCNH2GRK5TGFBR1ACVR1
SCHEMBL2386750 0.83 ATR (0.71) METKCNH2ATR
SCHEMBL13625128 0.83 MET (0.56) METKCNH2GRK5ATRAXL
SCHEMBL2386250 0.81 MET (0.55) METKCNH2GRK5AXLTGFBR1
SCHEMBL2387751 0.79 MET (0.67) METKCNH2GRK5GRK2FLT3
SCHEMBL2387128 0.79 MET (0.55) METKCNH2GRK5AXLTGFBR1
SCHEMBL2386361 0.78 MET (0.73) METKCNH2GRK5GRK2FLT3
SCHEMBL2384060 0.76 MET (1.00) METKCNH2GRK5GRK2ALK

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-8017611-B2 Pyridine and pyrazine derivatives -083 ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed
CN-101910158-A Pyridine and pyrazine derivatives useful in the treatment of cell proliferative disorders ASTRAZENECA AB 2010-12-08 CN disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 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-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 MET 2362/4885KCNH2 833/4885GRK5 579/4885

“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.