Sugi Predict

Sugi Predict / Compounds / SCHEMBL12829201

SCHEMBL12829201

SCHEMBL12829201

CCc1ccc2nc(O)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ TRPA1 O75762 1/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTK2B Q14289 1/20 0.43
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ DAO P14920 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ TYMS P04818 1/20 0.38
▸ TSHR P16473 3/20 0.38

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
SCHEMBL20032157 0.86 NPC1 (0.41) CYP1A2CYP2A6TRPA1NPC1RAB9A
SCHEMBL21863360 0.85 CNR1 (0.47) MEN1KMT2AGAATSHRKDM4E
SCHEMBL27941869 0.81 HRH3 (0.43) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL25744550 0.80 GABRA1 (0.47) CYP1A2TRPA1MEN1KMT2AALDH1A1
SCHEMBL10234988 0.78 CYP1A2 (0.59) CYP1A2CYP2A6MEN1KMT2AALDH1A1
SCHEMBL13072272 0.78 CYP1A2 (0.50) CYP1A2CYP2A6TRPA1MEN1KMT2A
SCHEMBL12824284 0.78 CYP1A2 (0.50) CYP1A2CYP2A6TRPA1MEN1KMT2A
SCHEMBL7813726 0.78 CYP1A2 (0.46) CYP1A2CYP2A6TRPA1MEN1KMT2A
SCHEMBL12109950 0.77 CYP1A2 (0.48) CYP1A2CYP2A6TRPA1MEN1KMT2A
SCHEMBL9925939 0.77 BACE1 (0.58) CYP1A2CYP2A6MEN1KMT2AALDH1A1

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
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 — — US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 — — US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 — — 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 (4 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 CYP1A2 4845/4885CYP2A6 4454/4885TRPA1 4816/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CYP1A2 4845/4885CYP2A6 4454/4885TRPA1 4816/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 CYP1A2 4806/4885CYP2A6 4699/4885TRPA1 4365/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP1A2 540/4885CYP2A6 747/4885TRPA1 1604/4885

“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.