SCHEMBL2695084

SCHEMBL2695084

COc1ccc(-c2ccnc3[nH]nc(C(C)C)c23)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.50
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
RPS6KA3 P51812 1/20 0.42
HSP90AA1 P07900 1/20 0.41
CYP2A6 P11509 2/20 0.40
MAPK1 P28482 2/20 0.39
TDO2 P48775 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
MAPT P10636 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
TNIK Q9UKE5 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
SYK P43405 1/20 0.35
MAT2A P31153 1/20 0.35

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
SCHEMBL2694498 0.79 NUDT1 (0.47) FYNTLR8TLR7HSP90AA1
SCHEMBL2693285 0.78 HSP90AA1 (0.42) FYNHSP90AA1SLC22A12MAPTSYK
SCHEMBL2695036 0.77 FYN (0.38) FYNMAPTPIK3CA
SCHEMBL30521893 0.76 FYN (0.66) FYNMAPT
SCHEMBL20485623 0.76 FYN (0.66) FYNMAPT
SCHEMBL30521887 0.75 FYN (0.67) FYN
SCHEMBL20485854 0.75 FYN (0.67) FYN
SCHEMBL2693953 0.73 LRRK2 (0.48) FYNCYP2A6
SCHEMBL15723896 0.73 CYP2A6 (0.48) FYNRPS6KA3CYP2A6MAPK1TDO2
SCHEMBL2693833 0.71 HSP90AA1 (0.46) HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 US disclosed
EP-2452940-B1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2014-12-17 EP disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 US disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 US 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-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 FYN 1076/4885TLR8 4514/4885TLR7 3290/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 FYN 1076/4885TLR8 4514/4885TLR7 3290/4885

“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.