Sugi Predict

Sugi Predict / Compounds / SCHEMBL1863295

SCHEMBL1863295

SCHEMBL1863295

COc1cncc(OBOc2cncc(OC)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.48
▸ CYP1B1 Q16678 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP11B1 P15538 5/20 0.43
▸ CYP11B2 P19099 5/20 0.43
▸ MKNK2 Q9HBH9 2/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ NTRK3 Q16288 1/20 0.43
▸ PKN2 Q16513 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ STK17A Q9UEE5 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CHRNB2 P17787 3/20 0.39
▸ CHRNA4 P43681 3/20 0.39

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
SCHEMBL744752 0.85 CYP1A1 (0.61) CYP1A1CYP1B1ALDH1A1CYP11B1CYP11B2
SCHEMBL14664948 0.83 CYP1A1 (0.45) CYP1A1CYP1B1ALDH1A1CYP11B1CYP11B2
Cyanide SCHEMBL28250393 0.78 CYP1A1 (0.54) CYP1A1CYP1B1ALDH1A1CYP11B1CYP11B2
SCHEMBL5877432 0.78 ALDH1A1 (0.65) CYP1A1CYP1B1ALDH1A1CYP1A2CYP3A4
SCHEMBL768929 0.77 ATM (0.38) CYP1A1CYP1B1CYP3A4CHRNB2CHRNA4
SCHEMBL2214269 0.77 CYP11B1 (0.44) CYP11B1CYP11B2CHRNB2CHRNA4CHRNB4
SCHEMBL2216621 0.74 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL5702666 0.73 CYP1A1 (0.74) CYP1A1CYP1B1CYP11B1CYP11B2MKNK2
SCHEMBL875081 0.73 CHRNB2 (0.46) CHRNB2CHRNA4
SCHEMBL1865390 0.73 HCAR2 (0.38) CYP11B1CYP11B2CYP3A4GRM5CYP17A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025021182-A1 CYP11A1 INHIBITORS ACERAND THERAPEUTICS (HONG KONG) LIMITED (CN) 2025-01-30 — — WO disclosed
CN-118451080-A Tricyclic GPR65 modulators 帕蒂奥斯治疗有限公司 2024-08-06 — — CN disclosed
CN-118359538-A Isoquinoline compound, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-07-19 — — CN disclosed
CN-112004807-B Compounds and pharmaceutical compositions comprising the same 自体吞噬科学有限公司 2023-07-18 — — CN disclosed
CN-110678463-B Substituted nitrogen-containing compounds 百时美施贵宝公司 2023-06-06 — — CN disclosed
CN-115916747-A Fused heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2023-04-04 — — CN disclosed
CN-115531387-A Pyrazole amide compounds useful as IRAK inhibitors 里格尔药品股份有限公司 2022-12-30 — — CN disclosed
CN-110234637-B Pyrazole amide compounds useful as IRAK inhibitors 里格尔药品股份有限公司 2022-11-01 — — CN disclosed
CN-115244048-A Pyridopyrimidine derivatives useful for modulating AhR signaling 捷豹治疗有限公司 2022-10-25 — — CN disclosed
CN-114450274-A Indazoles and azaindazoles as LRRK2 inhibitors 伊斯凯普生物公司 2022-05-06 — — CN disclosed
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-11-21 — — US disclosed
EP-2655376-A1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) Janssen Pharmaceutica NV (BE) 2013-10-30 — — EP disclosed
US-20130274266-A1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2013-10-17 — — US disclosed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 — — US disclosed
EP-2493877-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 — — EP disclosed
WO-2012085038-A1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2012-06-28 — — WO disclosed
US-20110178065-A1 NOVEL CYP17 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2011-07-21 — — US disclosed
WO-2011088160-A2 NOVEL CYP17 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2011-07-21 — — WO disclosed
WO-2011053705-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 — — WO disclosed
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 — — 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-20110178065-A1 NOVEL CYP17 INHIBITORS CYP17A1, CYP21A2, HSD17B1 CYP1A1 39/4885CYP1B1 29/4885ALDH1A1 187/4885
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 CYP1A1 531/4885CYP1B1 680/4885ALDH1A1 238/4885
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 CYP1A1 531/4885CYP1B1 680/4885ALDH1A1 238/4885
US-20130274266-A1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 CYP1A1 4597/4885CYP1B1 4205/4885ALDH1A1 3954/4885

“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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