Sugi Predict

Sugi Predict / Compounds / SCHEMBL23328245

SCHEMBL23328245

SCHEMBL23328245

C[C@@H]1CN(c2ccc(C(C)(C)C)cc2)C[C@H](C)N1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 7/20 0.44
▸ ACACB O00763 3/20 0.41
▸ SIGMAR1 Q99720 4/20 0.39
▸ ACHE P22303 1/20 0.38
▸ EBP Q15125 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL19001078 1.00 HSD11B1 (0.44) HSD11B1ACACBSIGMAR1ACHEEBP
SCHEMBL19001019 0.81 HSD11B1 (0.41) HSD11B1ACACBSIGMAR1ACHEEBP
SCHEMBL24124027 0.81 HSD11B1 (0.50) HSD11B1MAPK1MAPT
SCHEMBL23328243 0.80 HSD11B1 (0.56) HSD11B1ACACBHRH3
SCHEMBL19000960 0.79 POLB (0.45) HSD11B1ACACBSIGMAR1HRH3NPC1
SCHEMBL19001104 0.79 POLB (0.45) HSD11B1ACACBSIGMAR1HRH3NPC1
SCHEMBL1470433 0.79 HSD11B1 (0.41) HSD11B1ACACBHRH3NPC1MAPK1
SCHEMBL19001103 0.79 POLB (0.45) HSD11B1ACACBSIGMAR1HRH3NPC1
SCHEMBL1470434 0.79 HSD11B1 (0.41) HSD11B1ACACBHRH3NPC1MAPK1
SCHEMBL19000981 0.79 POLB (0.45) HSD11B1ACACBSIGMAR1HRH3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR (CN) 2023-05-25 — — US disclosed
US-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR (CN) 2023-05-25 — — US disclosed
EP-4169919-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-04-26 — — EP disclosed
US-11365196-B2 FGFR inhibitor and application thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-06-21 — — US disclosed
WO-2021254389-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2021-12-23 — — WO disclosed
US-20210130353-A1 FGFR INHIBITOR AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-05-06 — — 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 (3 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-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR WEE1, WEE2, PEAK1 HSD11B1 789/4885ACACB 4450/4885SIGMAR1 1585/4885
US-11365196-B2 FGFR inhibitor and application thereof FGFR1, FGFR4, FGFR2 HSD11B1 921/4885ACACB 1389/4885SIGMAR1 4734/4885
US-20210130353-A1 FGFR INHIBITOR AND APPLICATION THEREOF FGFR1, FGFR4, FGFR2 HSD11B1 1077/4885ACACB 1169/4885SIGMAR1 4694/4885

“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.