SCHEMBL5963942

SCHEMBL5963942

CNc1cc(-c2ccccc2Cl)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.47
PLA2G7 Q13093 1/20 0.45
CYP2A6 P11509 1/20 0.44
PAK1 Q13153 1/20 0.40
BACE1 P56817 1/20 0.40
TRPA1 O75762 1/20 0.40
DHODH Q02127 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
HSD11B1 P28845 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
AR P10275 1/20 0.38
PDK2 Q15119 1/20 0.38
PGR P06401 2/20 0.38
MAOB P27338 1/20 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
SCHEMBL27781520 0.80 TNKS2 (0.53) TNKS2PLA2G7CYP2A6BACE1TRPA1
SCHEMBL15354395 0.80 TNKS2 (0.53) TNKS2PLA2G7CYP2A6BACE1TRPA1
SCHEMBL18638654 0.76 TRPA1 (0.48) BACE1TRPA1HSD11B1AR
SCHEMBL4433057 0.72 CYP2A6 (0.58) TNKS2CYP2A6PAK1BACE1TRPA1
SCHEMBL6862522 0.71 CYP2A6 (0.44) PLA2G7CYP2A6DHODHHSD11B1
SCHEMBL23708178 0.71 DPP4 (0.53) TNKS2PLA2G7CYP2A6BACE1JAK2
SCHEMBL10024259 0.70 MCL1 (0.56) TNKS2CYP2A6
SCHEMBL21416767 0.69 HDAC2 (0.43) ARPGR
SCHEMBL2548717 0.69 AR (0.44) TNKS2PLA2G7CYP2A6BACE1TRPA1
SCHEMBL3111742 0.69 AHR (0.60) TNKS2CYP2A6BACE1TRPA1HSD11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052315-A1 Cb 1/cb 2 receptor ligands and their use in the treatment of pain ASTRAZENECA AB (SE) 2006-03-09 US disclosed
EP-1594856-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2005-11-16 EP disclosed
WO-2004060882-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-07-22 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-20060052315-A1 Cb 1/cb 2 receptor ligands and their use in the treatment of pain CNR1, CNR2, OPRL1 TNKS2 2289/4885PLA2G7 1180/4885CYP2A6 449/4885

“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.