SCHEMBL839501

SCHEMBL839501

Oc1ncnc2c1cnn2-c1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
GCK P35557 4/20 0.40
KCNH2 Q12809 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
EGFR P00533 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
TP53 P04637 7/20 0.39
MAPT P10636 5/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 2/20 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
SCHEMBL838719 0.90 MAPK14 (0.42) MAPK14GCKKCNH2KDM4EHSD17B10
SCHEMBL878657 0.90 MAPK14 (0.42) MAPK14GCKKCNH2KDM4EHSD17B10
SCHEMBL839315 0.90 GCK (0.45) MAPK14GCKKCNH2KDM4EHSD17B10
SCHEMBL839168 0.87 GCK (0.47) MAPK14GCKKCNH2KDM4EHSD17B10
SCHEMBL839952 0.84 MAPK14 (0.47) MAPK14GCKKCNH2KDM4EHSD17B10
SCHEMBL838812 0.84 P2RX7 (0.44) GCKKDM4EHSD17B10MEN1KMT2A
SCHEMBL878705 0.84 GCK (0.47) GCKKCNH2KDM4EHSD17B10MEN1
SCHEMBL838405 0.82 TP53 (0.44) MAPK14GCKKCNH2KDM4EHSD17B10
SCHEMBL25343285 0.82 SLC2A1 (0.43) MAPK14GCKKCNH2KDM4EHSD17B10
SCHEMBL838736 0.82 ALDH1A1 (0.40) KDM4EHSD17B10MEN1KMT2AALDH1A1

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 17 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
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8071585-B2 Therapeutic agents ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-8071585-B2 Therapeutic agents ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-8071585-B2 Therapeutic agents ASTRAZENECA AB (SE) 2011-12-06 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
WO-2010116177-A1 A PYRAZOLO [4,5-E] PYRIMIDINE DERIVATIVE AND ITS USE TO TREAT DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
WO-2010116177-A1 A PYRAZOLO [4,5-E] PYRIMIDINE DERIVATIVE AND ITS USE TO TREAT DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261704-A1 THERAPEUTIC AGENTS 928 ASTRAZENECA AB (SE) 2010-10-14 US disclosed
US-20100261704-A1 THERAPEUTIC AGENTS 928 ASTRAZENECA AB (SE) 2010-10-14 US disclosed
US-20100261704-A1 THERAPEUTIC AGENTS 928 ASTRAZENECA AB (SE) 2010-10-14 US 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
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 (2 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-20100261704-A1 THERAPEUTIC AGENTS 928 GCK, GCKR, GALK1 MAPK14 362/4885GCK 1/4885KCNH2 1066/4885
US-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 MAPK14 171/4885GCK 1/4885KCNH2 1438/4885

“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.