SCHEMBL2386664

SCHEMBL2386664

COc1ccc(COc2cccc3oc(-c4cccnc4N)nc23)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 5/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
F2RL3 Q96RI0 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
AKT1 P31749 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
SYK P43405 2/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2385744 0.86 F2RL3 (0.40) SGMS2NPC1RAB9AF2RL3MEN1
SCHEMBL2385451 0.75 F2RL3 (0.37) SGMS2NPC1RAB9AF2RL3MEN1
SCHEMBL2406082 0.71 CYP1A2 (0.34) NPC1RAB9AF2RL3MEN1KMT2A
SCHEMBL2386233 0.69 F2RL3 (0.41) NPC1RAB9AF2RL3MEN1KMT2A
SCHEMBL2388896 0.68 KDM4E (0.54) SGMS2NPC1RAB9AAKT1ALDH1A1
SCHEMBL2386762 0.68 TOP2A (0.51) NPC1RAB9AF2RL3TSHRALDH1A1
SCHEMBL9126133 0.68 NPC1 (0.63) NPC1RAB9ASYK
SCHEMBL2388524 0.68 SGMS2 (0.49) SGMS2RAB9AAKT1PDE4CALDH1A1
SCHEMBL2386083 0.68 METAP2 (0.39) SGMS2NPC1RAB9APDE4APDE4C
SCHEMBL31637926 0.67 F2RL3 (0.44) SGMS2NPC1RAB9AF2RL3MEN1

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 SGMS2 3872/4885NPC1 2864/4885RAB9A 2053/4885

“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.