SCHEMBL2694498

SCHEMBL2694498

CC(C)c1n[nH]c2nccc(-c3cccnc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.47
FYN P06241 1/20 0.43
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 1/20 0.43
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
DYRK1A Q13627 7/20 0.41
CLK2 P49760 6/20 0.41
CLK3 P49761 6/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
KDR P35968 1/20 0.41
BTK Q06187 1/20 0.40
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
HPGDS O60760 1/20 0.40
ALK Q9UM73 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL2695036 0.84 FYN (0.38) FYNDYRK1ACLK2CLK3KIT
SCHEMBL2693285 0.80 HSP90AA1 (0.42) FYNHSP90AA1DYRK1ACLK1
SCHEMBL2693953 0.80 LRRK2 (0.48) FYNKDR
SCHEMBL2695084 0.79 FYN (0.50) FYNHSP90AA1TLR8TLR7
SCHEMBL2696998 0.77 HSP90AA1 (0.70) HSP90AA1HSP90AB1
SCHEMBL2692816 0.76 FYN (0.48) FYNHSP90AA1HSP90AB1
SCHEMBL21540038 0.75 NUDT1 (0.45) NUDT1DYRK1A
SCHEMBL15723977 0.74 CYP2A6 (0.52) NUDT1
SCHEMBL2695034 0.73 L3MBTL1 (0.46) ALK
SCHEMBL2693833 0.73 HSP90AA1 (0.46) NUDT1HSP90AA1

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 NUDT1 2587/4885FYN 1076/4885HSP90AA1 3/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 NUDT1 2587/4885FYN 1076/4885HSP90AA1 3/4885

“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.