SCHEMBL2383649

SCHEMBL2383649

Nc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1-c1nc2cccnc2o1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.58
LRRK2 Q5S007 2/20 0.54
MET P08581 3/20 0.50
BMPR1B O00238 1/20 0.49
BMPR1A P36894 1/20 0.49
TGFBR1 P36897 1/20 0.49
ACVRL1 P37023 1/20 0.49
ACVR1 Q04771 1/20 0.49
ATR Q13535 1/20 0.49
RIPK1 Q13546 1/20 0.48
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
GRK5 P34947 1/20 0.47
JAK2 O60674 1/20 0.45

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
SCHEMBL2386761 0.89 MET (0.55) KCNH2METBMPR1BBMPR1AACVRL1
SCHEMBL2385335 0.85 KCNH2 (0.58) KCNH2LRRK2METBMPR1BBMPR1A
SCHEMBL2387126 0.84 KCNH2 (0.58) KCNH2LRRK2METBMPR1BBMPR1A
SCHEMBL2386462 0.83 MAP4K4 (0.58) METMKNK1
SCHEMBL2386691 0.81 LRRK2 (0.60) LRRK2METTGFBR1GRK5JAK2
SCHEMBL2386280 0.81 FYN (0.60) KCNH2LRRK2METATRGRK5
SCHEMBL2388009 0.79 MET (0.55) METTGFBR1GRK5
SCHEMBL2388193 0.79 FYN (0.51) LRRK2METTGFBR1ACVR1ATR
SCHEMBL2227506 0.77 KCNH2 (0.77) KCNH2LRRK2BMPR1BBMPR1ATGFBR1
SCHEMBL2384401 0.77 GRK5 (0.48) METATRMKNK1GRK5

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-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
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 KCNH2 833/4885LRRK2 1684/4885MET 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.