SCHEMBL2386643

SCHEMBL2386643

Nc1ncc(-c2cccc(N3CCNCC3)c2)cc1-c1nc2ccccc2o1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.64
ACVR1 Q04771 4/20 0.64
MET P08581 10/20 0.60
KCNH2 Q12809 2/20 0.60
GRK5 P34947 7/20 0.54
GRK2 P25098 6/20 0.54
ALK Q9UM73 1/20 0.54

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
SCHEMBL2384952 0.91 MET (0.60) TGFBR1ACVR1METKCNH2GRK5
SCHEMBL2385786 0.90 MET (0.59) TGFBR1ACVR1METKCNH2GRK5
SCHEMBL2388637 0.90 TGFBR1 (0.63) TGFBR1ACVR1METKCNH2GRK5
SCHEMBL2385999 0.89 MET (0.59) TGFBR1ACVR1METKCNH2GRK5
SCHEMBL2386592 0.88 MET (0.63) TGFBR1ACVR1METKCNH2
SCHEMBL13625128 0.87 MET (0.56) TGFBR1ACVR1METKCNH2GRK5
SCHEMBL2386250 0.86 MET (0.55) TGFBR1ACVR1METKCNH2GRK5
SCHEMBL2386003 0.85 MET (0.61) TGFBR1ACVR1METKCNH2GRK5
SCHEMBL2387531 0.83 ATR (0.55) TGFBR1ACVR1METKCNH2
SCHEMBL2387128 0.83 MET (0.55) TGFBR1ACVR1METKCNH2GRK5

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 TGFBR1 3172/4885ACVR1 2359/4885MET 2362/4885

“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.