SCHEMBL2387035

SCHEMBL2387035

COC(=O)c1cc(-c2cnn(C3CCNCC3)c2)cnc1N

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 12/20 0.68
MERTK Q12866 4/20 0.58
AXL P30530 3/20 0.58
MET P08581 2/20 0.58
TYRO3 Q06418 1/20 0.58
JAK2 O60674 2/20 0.56
NTRK1 P04629 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
SCHEMBL2386302 0.87 MERTK (0.59) MAP4K3MERTKAXLMETTYRO3
SCHEMBL18611194 0.87 MAP4K3 (0.70) MAP4K3MERTKAXLMETTYRO3
SCHEMBL2385504 0.84 MET (0.53) MAP4K3MERTKAXLMET
SCHEMBL21779416 0.82 MAP4K3 (0.70) MAP4K3MERTKAXLMETTYRO3
SCHEMBL26151261 0.81 MAP4K3 (0.74) MAP4K3JAK2
SCHEMBL3954315 0.81 AXL (0.58) MAP4K3MERTKAXLTYRO3JAK2
SCHEMBL18637099 0.79 MAP4K3 (0.64) MAP4K3METJAK2NTRK1
SCHEMBL18591563 0.79 IKBKE (0.62) MERTKAXLMET
SCHEMBL6726838 0.77 MAP4K3 (0.64) MAP4K3METJAK2NTRK1
SCHEMBL18616304 0.77 MAP4K3 (0.60) MAP4K3METJAK2NTRK1

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 MAP4K3 102/4885MERTK 3823/4885AXL 2302/4885

“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.