SCHEMBL839746

SCHEMBL839746

Cc1ccncc1-n1ncc2c(O)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.45
PDE9A O76083 4/20 0.43
RAB9A P51151 3/20 0.43
CYP17A1 P05093 7/20 0.43
CYP1A2 P05177 7/20 0.43
TP53 P04637 2/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
STAT3 P40763 1/20 0.41
PIP4K2A P48426 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
SLC2A1 P11166 1/20 0.39
SLC2A2 P11168 1/20 0.39
SLC2A3 P11169 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
SCHEMBL838694 0.83 CYP17A1 (0.46) GSK3BPDE9ARAB9ACYP17A1CYP1A2
SCHEMBL838153 0.81 RAB9A (0.55) RAB9ATP53LMNASMN1; SMN2HTT
SCHEMBL839998 0.78 TP53 (0.47) RAB9ATP53LMNAHTTPIP4K2A
SCHEMBL838986 0.76 RAB9A (0.41) RAB9ATP53LMNAHTTALDH1A1
SCHEMBL839756 0.76 XDH (0.46) RAB9ATP53LMNASLC2A1SLC2A2
SCHEMBL850157 0.76 TP53 (0.45) RAB9ATP53LMNAHTTPIP4K2A
SCHEMBL6071371 0.74 GSK3B (0.54) GSK3BRAB9ACYP17A1CYP1A2TP53
SCHEMBL838447 0.73 RAB9A (0.40) GSK3BRAB9ATP53LMNASMN1; SMN2
SCHEMBL838405 0.73 TP53 (0.44) RAB9ATP53LMNASMN1; SMN2HTT
SCHEMBL839927 0.73 SLC2A1 (0.44) RAB9ACYP17A1CYP1A2TP53SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 GSK3B 1784/4885PDE9A 1740/4885RAB9A 3239/4885

“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.