SCHEMBL22701709

SCHEMBL22701709

COC(=O)C1(OC)CCC(c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 15/20 0.52
AURKB Q96GD4 13/20 0.52
GSK3B P49841 13/20 0.49
SRC P12931 10/20 0.49
EIF2AK2 P19525 1/20 0.49
GSK3A P49840 1/20 0.49
AURKC Q9UQB9 1/20 0.46
JAK2 O60674 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
CYP2C19 P33261 1/20 0.45
JAK3 P52333 1/20 0.45

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
SCHEMBL24668011 0.94 AURKA (0.53) AURKAAURKBGSK3BSRCEIF2AK2
SCHEMBL22701711 0.93 AURKA (0.52) AURKAAURKBGSK3BSRCEIF2AK2
SCHEMBL25875753 0.82 RET (0.46) AURKAAURKBJAK2
SCHEMBL25876129 0.81 PLK4 (0.46) JAK2
SCHEMBL18789261 0.81 RET (0.56) AURKAAURKBJAK2
SCHEMBL28411559 0.80 RET (0.44) AURKAAURKBGSK3BSRCJAK2
SCHEMBL30250267 0.80 RET (0.44) AURKAAURKBGSK3BSRCJAK2
SCHEMBL25875939 0.80 RET (0.44) JAK2JAK1TYK2JAK3
SCHEMBL25876350 0.80 RET (0.43) AURKAAURKBAURKCJAK2JAK1
SCHEMBL25876081 0.79 RET (0.43) JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220233513-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2022-07-28 US disclosed
WO-2020233641-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF 浙江同源康医药股份有限公司 (CN) 2020-11-26 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-20220233513-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF RET, ROR1, FGFR3 AURKA 649/4885AURKB 699/4885GSK3B 341/4885

“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.