SCHEMBL18486229

SCHEMBL18486229

c1cc2ccc3ccc(-c4ncnc5[nH]cnc45)c4ccc(c1)c2c34

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 4/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL18486231 0.78 HTR3E (0.44) LMNAMAPK1HTTSMN1; SMN2MAPT
SCHEMBL16619167 0.73 RPS6KB1 (0.38) PARP1ALDH1A1PIM1JAK2LMNA
SCHEMBL19233387 0.69 MTOR (0.44) CYP3A4CYP1A2
SCHEMBL28668955 0.68 MTOR (0.43) PIM1JAK2
SCHEMBL2938674 0.67 JAK2 (0.54) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29111626 0.67 MEN1 (0.47) PARP1ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL2124728 0.67 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29413360 0.67 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29814212 0.67 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL9927365 0.65 TSHR (0.45) ALDH1A1HPGDHSD17B10CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PARP1 1716/4885ALDH1A1 2042/4885HPGD 3988/4885
US-20170354673-A1 OLIGONUCLEOTIDE HAVING NON-NATURAL NUCLEOTIDE AT 5'-TERMINAL THEREOF RNGTT, UPF1, NSUN3 PARP1 1763/4885ALDH1A1 2066/4885HPGD 3988/4885

“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.

Send feedback