SCHEMBL839952

SCHEMBL839952

Clc1cccc(Cl)c1-n1ncc2c(Cl)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
EGFR P00533 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
MAPT P10636 8/20 0.40
TP53 P04637 6/20 0.40
HTT P42858 4/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 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
SCHEMBL838945 0.90 MAPK14 (0.41) MAPK14KDM4EALDH1A1HSD17B10MEN1
SCHEMBL838279 0.90 GCK (0.44) MAPK14KDM4EALDH1A1HSD17B10MEN1
SCHEMBL878648 0.90 KDM4E (0.43) MAPK14KDM4EALDH1A1HSD17B10MEN1
SCHEMBL838384 0.86 GCK (0.46) MAPK14KDM4EALDH1A1HSD17B10MEN1
SCHEMBL25342469 0.84 SLC2A1 (0.43) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL839501 0.84 MAPK14 (0.48) MAPK14KDM4EALDH1A1HSD17B10MEN1
SCHEMBL838829 0.83 P2RX7 (0.46) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL839210 0.83 GCK (0.47) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL838566 0.81 SLC2A1 (0.46) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL839442 0.81 TP53 (0.46) MAPK14KDM4EALDH1A1HSD17B10MAPT

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 13 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-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
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 362/4885KDM4E 1844/4885ALDH1A1 2144/4885
US-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 MAPK14 171/4885KDM4E 3541/4885ALDH1A1 1918/4885

“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.