SCHEMBL18486258

SCHEMBL18486258

O=C(O)CCc1cccc(-c2ncnc3nc[nH]c23)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 6/20 0.70
PRKACA P17612 3/20 0.62
PRKACG P22612 3/20 0.62
PRKACB P22694 3/20 0.62
CDK2 P24941 1/20 0.55
NEK2 P51955 1/20 0.50
NT5C2 P49902 2/20 0.46
NT5E P21589 1/20 0.46
CDC7 O00311 2/20 0.44
DBF4 Q9UBU7 2/20 0.44
AKT1 P31749 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
FFAR1 O14842 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CTNNB1 P35222 1/20 0.43
MAPK1 P28482 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL4250092 0.70 FFAR1 (0.52) FFAR1AKR1B1FFAR4
SCHEMBL7347912 0.70 FFAR1 (0.69) FFAR1MAPK1AKR1B1FFAR4
SCHEMBL29381971 0.70 FFAR1 (0.69) FFAR1MAPK1AKR1B1FFAR4
SCHEMBL29780316 0.68 FFAR1 (0.50) FFAR1AKR1B1FFAR4
SCHEMBL13525204 0.68 FFAR1 (0.71) FFAR1AKR1B1FFAR4
SCHEMBL70271 0.67 KEAP1 (0.74) FFAR1MAPK1FFAR4
Hydrochloric Acid SCHEMBL10982620 0.66 KEAP1 (0.71) FFAR1MAPK1FFAR4
SCHEMBL4496035 0.65 SMN1; SMN2 (0.70) AKT2PRKACAPRKACGPRKACBCDK2
SCHEMBL24307632 0.65 FFAR1 (0.73) FFAR1FFAR4
SCHEMBL23794781 0.64 GSK3B (0.58) AKT2PRKACACDK2CDC7AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024211596-A1 siRNA COMPOSITIONS TARGETING SCN9A GENEDIT INC. (US) 2024-10-10 WO claimed
WO-2024196893-A1 CHEMICALLY MODIFIED NUCLEOTIDES CAMFORD LABS INC. (US) 2024-09-26 WO claimed
WO-2024196898-A1 CHEMICALLY MODIFIED NONCODING NUCLEOTIDES CAMFORD LABS INC. (US) 2024-09-26 WO claimed
WO-2024211596-A1 siRNA COMPOSITIONS TARGETING SCN9A GENEDIT INC. (US) 2024-10-10 WO disclosed
WO-2024196893-A1 CHEMICALLY MODIFIED NUCLEOTIDES CAMFORD LABS INC. (US) 2024-09-26 WO disclosed
WO-2024196898-A1 CHEMICALLY MODIFIED NONCODING NUCLEOTIDES CAMFORD LABS INC. (US) 2024-09-26 WO disclosed
EP-3130597-B1 OLIGONUCLEOTIDE HAVING A NON-NATURAL NUCLEOTIDE AT THE 5'-TERMINAL KYOWA KIRIN CO LTD (JP) 2021-11-10 EP disclosed
US-10342819-B2 Oligonucleotide having non-natural nucleotide at 5′-terminal thereof KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-07-09 US disclosed
US-20170354673-A1 OLIGONUCLEOTIDE HAVING NON-NATURAL NUCLEOTIDE AT 5'-TERMINAL THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-12-14 US disclosed
EP-3130597-A1 OLIGONUCLEOTIDE HAVING NON-NATURAL NUCLEOTIDE AT 5'-TERMINAL THEREOF Kyowa Hakko Kirin Co., Ltd. (JP) 2017-02-15 EP 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 (2 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-10342819-B2 Oligonucleotide having non-natural nucleotide at 5′-terminal thereof RNGTT, UPF1, NSUN3 AKT2 3555/4885PRKACA 4399/4885PRKACG 4423/4885
US-20170354673-A1 OLIGONUCLEOTIDE HAVING NON-NATURAL NUCLEOTIDE AT 5'-TERMINAL THEREOF RNGTT, UPF1, NSUN3 AKT2 3611/4885PRKACA 4404/4885PRKACG 4420/4885

“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.