SCHEMBL839539

SCHEMBL839539

Cc1nccnc1-n1ncc2c(Cl)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.38
TP53 P04637 10/20 0.38
MAPT P10636 6/20 0.38
CYP17A1 P05093 1/20 0.38
CYP1A2 P05177 1/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL838627 0.81 CYP17A1 (0.49) TP53MAPTCYP17A1CYP1A2NPC1
SCHEMBL838336 0.78 TP53 (0.41) XDHTP53MAPTCYP17A1CYP1A2
SCHEMBL839893 0.78 CYP17A1 (0.54) CYP17A1CYP1A2
SCHEMBL12000878 0.74 ALDH1A1 (0.41) XDHTP53MAPTCYP1A2NPC1
SCHEMBL3425282 0.74 NPC1 (0.51) XDHTP53MAPTNPC1RAB9A
SCHEMBL6269930 0.74 XDH (0.68) XDHTP53MAPTNPC1RAB9A
SCHEMBL838498 0.72 RAB9A (0.46) TP53MAPTCYP17A1CYP1A2NPC1
SCHEMBL838694 0.72 CYP17A1 (0.46) TP53MAPTCYP17A1CYP1A2RAB9A
SCHEMBL6071871 0.72 GSK3B (0.53) XDHTP53MAPTCYP1A2NPC1
SCHEMBL839657 0.72 SLC2A1 (0.54) TP53MAPTNPC1RAB9ALMNA

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 XDH 788/4885TP53 4297/4885MAPT 3944/4885

“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.