SCHEMBL25876281

SCHEMBL25876281

CCCn1ncc2c(C)nc(C3=CCC(OC)(C(=O)OC)CC3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDE4B Q07343 1/20 0.33
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 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
SCHEMBL25876241 0.93 MEN1 (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL25875947 0.93 MEN1 (0.37) MEN1KMT2ASMN1; SMN2PDE4BGMNN
SCHEMBL25875751 0.88 TP53 (0.32) KMT2AALDH1A1TP53HSD17B10
SCHEMBL25876085 0.87 MERTK (0.33) PDE1APDE1BPDE1C
SCHEMBL25876305 0.87 PIK3CA (0.39)
SCHEMBL25875975 0.87
SCHEMBL25875899 0.84 KLKB1 (0.33)
SCHEMBL25876137 0.83 PIK3CA (0.35) PDE1B
SCHEMBL25884072 0.82 PDE1A (0.41) PDE1APDE1BPDE1CMEN1KMT2A
SCHEMBL25876258 0.81 PIK3CA (0.36) PDE1BPDE1C

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 PDE1A 491/4885PDE1B 397/4885PDE1C 798/4885

“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.