SCHEMBL839756

SCHEMBL839756

Cc1ccc(C#N)cc1-n1ncc2c(O)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.46
TP53 P04637 9/20 0.45
LMNA P02545 6/20 0.44
SLC2A1 P11166 3/20 0.44
SLC2A3 P11169 3/20 0.44
SLC2A2 P11168 2/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 4/20 0.41
CRHR1 P34998 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL840215 0.85 TP53 (0.50) XDHTP53LMNASLC2A1SLC2A3
SCHEMBL838153 0.83 RAB9A (0.55) TP53LMNARAB9AMAPT
SCHEMBL839998 0.81 TP53 (0.47) TP53LMNARAB9AMAPTPOLB
SCHEMBL850157 0.78 TP53 (0.45) TP53LMNARAB9AMAPTPOLB
SCHEMBL839132 0.76 SLC2A1 (0.47) XDHTP53LMNASLC2A1SLC2A3
SCHEMBL839746 0.76 GSK3B (0.45) TP53LMNASLC2A1SLC2A3SLC2A2
SCHEMBL838206 0.74 SLC2A1 (0.56) XDHLMNASLC2A1SLC2A3SLC2A2
SCHEMBL838986 0.71 RAB9A (0.41) XDHTP53LMNARAB9AMAPT
SCHEMBL12414262 0.71 RAB9A (0.53) TP53LMNARAB9AMAPT
SCHEMBL839999 0.70 SLC2A1 (0.46) XDHTP53LMNASLC2A1SLC2A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
CN-102171213-A Pyrazolo [3, 4] pyrimidin-4-yl derivatives and their uses to treat diabetes and obesity ASTRAZENECA AB 2011-08-31 CN 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
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
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 XDH 788/4885TP53 4297/4885LMNA 3530/4885

“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.