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
SCHEMBL25875975 0.87 — —
SCHEMBL25876305 0.87 PIK3CA (0.39) —
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.

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