SCHEMBL839210

SCHEMBL839210

Clc1ccccc1-n1ncc2c(Cl)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.47
ALDH1A1 P00352 7/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
EGFR P00533 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
LMNA P02545 3/20 0.44
ALOX15 P16050 1/20 0.44
KCNH2 Q12809 5/20 0.42

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
SCHEMBL838829 0.88 P2RX7 (0.46) GCKALDH1A1MAPTMAPK1KDM4E
SCHEMBL839270 0.86 GCK (0.46) GCKALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL839442 0.85 TP53 (0.46) GCKALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL878705 0.85 GCK (0.47) GCKALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL12000946 0.85 SLC2A1 (0.53) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL839657 0.85 SLC2A1 (0.54) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL6253182 0.85 MAPT (0.47) ALDH1A1MAPTMAPK1KDM4EMEN1
SCHEMBL839952 0.83 MAPK14 (0.47) GCKALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL25975269 0.82 MAPT (0.53) GCKALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL839353 0.82 TP53 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA

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 14 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
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 US disclosed
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 US disclosed
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 US disclosed
EP-1720877-A2 ARYL SUBSTITUTED PURINE ANALOGUES Neurogen Corporation (US) 2006-11-15 EP disclosed
WO-2005084401-A2 ARYL SUBSTITUTED PURINE ANALOGUES NEUROGEN CORPORATION (US) 2005-09-15 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 GCK 1/4885ALDH1A1 1918/4885MAPT 3944/4885
US-20070197559-A1 Aryl substituted purine analogues ADORA2A, GART, P2RX7 GCK 2306/4885ALDH1A1 569/4885MAPT 4604/4885

“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.