SCHEMBL2385402

SCHEMBL2385402

COc1cc(N2CCN(C)CC2)ccc1-c1cnc(N)c(-c2nc3ncccc3o2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.49
AXL P30530 1/20 0.44
MET P08581 3/20 0.41
LRRK2 Q5S007 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
GRK2 P25098 4/20 0.41
GRK5 P34947 4/20 0.41
ALK Q9UM73 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL2387128 0.78 MET (0.55) FYNAXLMETGRK2GRK5
SCHEMBL31391673 0.77 FYN (0.52) FYNALKALDH1A1GAAEGFR
SCHEMBL2385711 0.75 FYN (0.51) FYNMETLRRK2NPC1RAB9A
SCHEMBL2386348 0.74 FYN (0.57) FYNNPC1RAB9ATGFBR1
SCHEMBL2388186 0.74 AXL (0.78) AXLMET
SCHEMBL2386782 0.74 MET (0.70) AXLMETGRK2GRK5
SCHEMBL2387575 0.73 KIT (0.51) FYNAXLMETLRRK2GRK5
SCHEMBL2384703 0.72 FYN (0.60) FYNAXLMETLRRK2NPC1
SCHEMBL2386592 0.72 MET (0.63) FYNAXLMETTGFBR1ACVR1
SCHEMBL15066885 0.71 KDM4E (0.42) NPC1RAB9AALKMAPTKDM4E

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 FYN 1193/4885AXL 2302/4885MET 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.