SCHEMBL2693015

SCHEMBL2693015

CC(C)c1n[nH]c2nccc(I)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.33
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
FLT1 P17948 1/20 0.32
LTK P29376 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
CLK2 P49760 1/20 0.32
GSK3A P49840 1/20 0.32

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
SCHEMBL30332245 1.00 LRRK2 (0.33) LRRK2AURKADAPK3JAK2MAP4K4
SCHEMBL27010940 0.81 LRRK2 (0.34) LRRK2AURKADAPK3JAK2MAP4K4
SCHEMBL2691540 0.79 AURKB (0.41) LRRK2AURKADAPK3JAK2MAP4K4
SCHEMBL29004707 0.79 DAO (0.39) LRRK2AURKADAPK3JAK2MAP4K4
SCHEMBL30332414 0.79 AURKB (0.41) LRRK2AURKADAPK3JAK2MAP4K4
SCHEMBL30332332 0.79 DAO (0.39) LRRK2AURKADAPK3JAK2MAP4K4
SCHEMBL26661511 0.77 LRRK2 (0.32) LRRK2AURKADAPK3JAK2MAP4K4
SCHEMBL30406195 0.77 LRRK2 (0.33) LRRK2PDPK1
SCHEMBL2675683 0.77 LRRK2 (0.33) LRRK2PDPK1
SCHEMBL2695036 0.74 FYN (0.38) LRRK2FYNKDRCLK2GSK3B

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
WO-2023238930-A1 ANALOGUES OF AZABICYCLIC COMPOUNDS 大鵬薬品工業株式会社 2023-12-14 WO disclosed
CN-115960100-B Synthesis method of Pi Mite xib drug for treating gastrointestinal stromal tumor 北京康立生医药技术开发有限公司 2023-08-18 CN disclosed
CN-115960100-A Synthetic method of drug Pi Mite Xibu for treating gastrointestinal stromal tumor 北京康立生医药技术开发有限公司 2023-04-14 CN disclosed
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 LRRK2 3319/4885AURKA 1942/4885DAPK3 368/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 LRRK2 3319/4885AURKA 1942/4885DAPK3 368/4885

“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.