SCHEMBL2387103

SCHEMBL2387103

Nc1ncc(-c2cccc(C(=O)NC3CC3)c2)cc1-c1nc2ccncc2o1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRK5 P34947 2/20 0.49
MET P08581 8/20 0.49
BMPR1B O00238 3/20 0.46
BMPR1A P36894 3/20 0.46
TGFBR1 P36897 3/20 0.46
ACVRL1 P37023 3/20 0.46
ACVR1 Q04771 3/20 0.46
ATR Q13535 2/20 0.45
GRK2 P25098 1/20 0.45
MAP4K4 O95819 1/20 0.44
FYN P06241 2/20 0.43
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
CYP46A1 Q9Y6A2 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
SCHEMBL2386986 0.93 MET (0.49) GRK5METBMPR1BBMPR1ATGFBR1
SCHEMBL2387884 0.85 GRK5 (0.52) GRK5METBMPR1BBMPR1ATGFBR1
SCHEMBL2387550 0.85 ATR (0.48) GRK5BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2386742 0.81 GRK5 (0.74) GRK5ATRMAP4K4FYN
SCHEMBL2387014 0.79 FYN (0.59) GRK5METATRFYN
SCHEMBL2385467 0.77 MET (0.58) GRK5MET
SCHEMBL2387050 0.76 PRKD3 (0.59) GRK5METMAP4K4FYN
SCHEMBL2387848 0.76 GRK5 (0.63) GRK5METATRMAP4K4FYN
SCHEMBL2386111 0.75 MET (0.57) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL2386877 0.75 PRKD3 (0.52) GRK5METMAP4K4FYN

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 GRK5 579/4885MET 2362/4885BMPR1B 3935/4885

“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.