SCHEMBL838736

SCHEMBL838736

Oc1ncnc2c1cnn2-c1c(Br)cccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 4/20 0.40
TSHR P16473 4/20 0.40
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
NPC1 O15118 9/20 0.38
RAB9A P51151 9/20 0.38
HTT P42858 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
XDH P47989 2/20 0.38
BLM P54132 1/20 0.38
LMNA P02545 6/20 0.38

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) ALDH1A1KDM4EHSD17B10TSHRMEN1
SCHEMBL849766 0.84 MAPT (0.46) ALDH1A1KDM4EHSD17B10TSHRMEN1
SCHEMBL838447 0.82 RAB9A (0.40) ALDH1A1KDM4EHSD17B10TSHRNPC1
SCHEMBL25343285 0.82 SLC2A1 (0.43) ALDH1A1KDM4EHSD17B10TSHRMEN1
SCHEMBL839501 0.82 MAPK14 (0.48) ALDH1A1KDM4EHSD17B10TSHRMEN1
SCHEMBL839999 0.78 SLC2A1 (0.46) ALDH1A1KDM4EHSD17B10TSHRMEN1
SCHEMBL6204755 0.78 GSK3B (0.54) ALDH1A1KDM4EHSD17B10TSHRMEN1
SCHEMBL31337054 0.76 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10TSHRMEN1
SCHEMBL6282033 0.76 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10TSHRMEN1
SCHEMBL839315 0.76 GCK (0.45) ALDH1A1KDM4EHSD17B10TSHRMEN1

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 9 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
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
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 ALDH1A1 1918/4885KDM4E 3541/4885HSD17B10 1170/4885

“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.