SCHEMBL2386008

SCHEMBL2386008

Nc1ncc(Br)cc1-c1nc2ncccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPT P10636 5/20 0.55
KDM4E B2RXH2 4/20 0.55
GAA P10253 3/20 0.55
HPGD P15428 4/20 0.52
HSD17B10 Q99714 3/20 0.52
TP53 P04637 1/20 0.52
ALOX12 P18054 1/20 0.52
HAVCR2 Q8TDQ0 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MET P08581 2/20 0.45
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
PPARG P37231 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR2E3 Q9Y5X4 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
SCHEMBL12256979 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2385727 0.81 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2384707 0.81 MET (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2386927 0.80 RAB9A (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2386383 0.78 KCNH2 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2387852 0.78 MET (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2385763 0.77 MET (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL11646125 0.77 SMN1; SMN2 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2386983 0.76 MET (0.41) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL2387707 0.76 TOP2A (0.44) NPC1RAB9ASMN1; SMN2MAPTMET

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 NPC1 2864/4885RAB9A 2053/4885SMN1; SMN2 2234/4885

“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.