SCHEMBL25876339

SCHEMBL25876339

COC(=O)C1(OC)CCC(c2nc(NC3=NCC(C)=C3)c3ncn(C)c3n2)CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.32
ABL1 P00519 2/20 0.32
CDK2 P24941 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
PKM P14618 1/20 0.30
NFKB1 P19838 1/20 0.30
ADORA1 P30542 1/20 0.30
THPO P40225 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL25876341 0.81 TEAD1 (0.35) CYP1A2CYP3A4CYP2D6PKMNFKB1
SCHEMBL25876342 0.79 TEAD1 (0.35) CYP1A2CYP3A4CYP2D6PKMNFKB1
SCHEMBL25876336 0.79 TEAD1 (0.34) CDK2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL25876334 0.73 JAK2 (0.45) CYP1A2CYP3A4CYP2D6PKMNFKB1
SCHEMBL25884546 0.72 CCNE2 (0.39) CDK2
SCHEMBL25876330 0.65 PDE4A (0.31)
SCHEMBL25875917 0.64 PDE2A (0.40)
SCHEMBL25875863 0.63 PDE2A (0.41)
SCHEMBL18789262 0.63 JAK2 (0.36)
SCHEMBL18789233 0.62 CBLB (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 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 (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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF RET, ROR1, FGFR3 SRC 11/4885ABL1 18/4885CDK2 453/4885

“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.