SCHEMBL27197136

SCHEMBL27197136

COc1nccc(-c2cc3cnc(NC(=O)CC4COC4)cc3n2C)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.35
DYRK1A Q13627 8/20 0.35
WNT1 P04628 3/20 0.35
LYN P07948 1/20 0.35
SRC P12931 1/20 0.35
BTK Q06187 1/20 0.35
ABL1 P00519 3/20 0.34
MAPK1 P28482 1/20 0.34
TBK1 Q9UHD2 2/20 0.34
KDR P35968 2/20 0.33
NOTUM Q6P988 1/20 0.33
FGFR3 P22607 1/20 0.33
MAPK8 P45983 1/20 0.33
CACNA1H O95180 1/20 0.33

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
SCHEMBL29776391 1.00 GSK3B (0.35) GSK3BDYRK1AWNT1LYNSRC
SCHEMBL27196862 0.82 ABL1 (0.53) GSK3BDYRK1AWNT1ABL1
SCHEMBL29776236 0.82 ABL1 (0.53) GSK3BDYRK1AWNT1ABL1
SCHEMBL29776483 0.80 FYN (0.37) GSK3BABL1MAPK1TBK1NOTUM
SCHEMBL27197046 0.80 FYN (0.37) GSK3BABL1MAPK1TBK1NOTUM
SCHEMBL27196991 0.79 ABL1 (0.44) GSK3BDYRK1AWNT1ABL1
SCHEMBL27196994 0.79 ABL1 (0.44) GSK3BDYRK1AWNT1ABL1
SCHEMBL27197027 0.79 ABL1 (0.44) GSK3BDYRK1AWNT1ABL1
SCHEMBL29776282 0.79 ABL1 (0.41) GSK3BDYRK1AWNT1LYNSRC
SCHEMBL27197005 0.79 ABL1 (0.41) GSK3BDYRK1AWNT1LYNSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124444-A1 Heterocyclic Compounds and Their Use for Parasitic Diseases CELGENE CORPORATION (US) 2024-04-18 US claimed
CN-116685318-A Heterocyclic compounds and their use for parasitic diseases 细胞基因公司 2023-09-01 CN claimed
US-20240124444-A1 Heterocyclic Compounds and Their Use for Parasitic Diseases CELGENE CORPORATION (US) 2024-04-18 US disclosed
CN-116685318-A Heterocyclic compounds and their use for parasitic diseases 细胞基因公司 2023-09-01 CN 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-20240124444-A1 Heterocyclic Compounds and Their Use for Parasitic Diseases CYP11B2, CYP11B1, CYP8B1 GSK3B 106/4885DYRK1A 1850/4885WNT1 915/4885

“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.