SCHEMBL18510397

SCHEMBL18510397

CC(C)n1nnc2c1N=CCC2=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.40
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 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
SCHEMBL18510388 0.71 TOP2A (0.31) TOP2A
SCHEMBL9910657 0.63 NSD3 (0.30)
SCHEMBL10248649 0.60 MAPK13 (0.33) ALDH1A1LMNA
SCHEMBL14725431 0.59
SCHEMBL22732889 0.58 TOP2A (0.59) TOP2AALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL22732883 0.57 TOP2A (0.58) TOP2AALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL18237477 0.55 TOP2A (0.38) TOP2AALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL17320674 0.55
SCHEMBL10629996 0.55
SCHEMBL22478608 0.53 TOP2A (0.42) TOP2AALDH1A1CYP1A2CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-27 US disclosed
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
US-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2023-09-26 US disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 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 (5 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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS TOP2A 175/4885ALDH1A1 3598/4885CYP1A2 4509/4885
US-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator STING1, MAVS, CGAS TOP2A 1631/4885ALDH1A1 4803/4885CYP1A2 4870/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS TOP2A 395/4885ALDH1A1 4763/4885CYP1A2 4580/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS TOP2A 175/4885ALDH1A1 3598/4885CYP1A2 4509/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TOP2A 179/4885ALDH1A1 4183/4885CYP1A2 1485/4885

“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.