SCHEMBL25875946

SCHEMBL25875946

CCn1ncc2c(O)nc(C3CCC(OC)(C(=O)OC)CC3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 9/20 0.40
PDE4B Q07343 5/20 0.35
MEN1 O00255 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL25876280 0.92 PDE1A (0.37) MAT2APDE4BMEN1KMT2ASMN1; SMN2
SCHEMBL25876083 0.90 MERTK (0.35) MAT2AALDH1A1
SCHEMBL25876239 0.90 MAT2A (0.32) MAT2AMEN1KMT2ASMN1; SMN2
SCHEMBL25876042 0.89 MAT2A (0.33) MAT2AMEN1KMT2ASMN1; SMN2
SCHEMBL25875942 0.89 MAT2A (0.42) MAT2APDE4B
SCHEMBL25876309 0.88 PIK3CA (0.36) MAT2APIK3CAMTOR
SCHEMBL25875917 0.86 PDE2A (0.40) PDE4BKMT2ASMN1; SMN2PIK3CA
SCHEMBL25876132 0.85 PIK3CA (0.34) PIK3CAMTOR
SCHEMBL25875905 0.85 KLKB1 (0.31) MAPT
SCHEMBL25876260 0.82 PIK3CA (0.36) PIK3CAMTOR

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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 US disclosed
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 MAT2A 686/4885PDE4B 586/4885MEN1 614/4885

“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.