Sugi Predict

Sugi Predict / Compounds / SCHEMBL21114946

SCHEMBL21114946

SCHEMBL21114946

CC(C)(C)OC(=O)N1CC[C@H](n2nc(Br)c(C#N)c2N)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.40
▸ BTK Q06187 1/20 0.40
▸ SRC P12931 4/20 0.40
▸ EGFR P00533 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3R2 O00459 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ PIK3R5 Q8WYR1 1/20 0.38
▸ PIK3R3 Q92569 1/20 0.38
▸ JAK2 O60674 3/20 0.37
▸ JAK1 P23458 3/20 0.37
▸ ABL1 P00519 1/20 0.37

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
SCHEMBL21114947 1.00 GPR119 (0.40) GPR119BTKSRCEGFRMEN1
SCHEMBL28703609 1.00 GPR119 (0.40) GPR119BTKSRCEGFRMEN1
SCHEMBL19002027 0.94 GPR119 (0.42) GPR119DPP4JAK2
SCHEMBL28679492 0.91 KCNH2 (0.37) GPR119BTKMEN1ALDH1A1MAPT
SCHEMBL26760030 0.89 GPR119 (0.41) GPR119BTKSRCEGFRMEN1
SCHEMBL28995746 0.89 GPR119 (0.41) GPR119BTKSRCEGFRMEN1
SCHEMBL21115006 0.85 GPR119 (0.39) GPR119BTKMEN1ALDH1A1MAPT
SCHEMBL21115007 0.85 GPR119 (0.39) GPR119BTKMEN1ALDH1A1MAPT
SCHEMBL25219418 0.83 JAK2 (0.40) BTKSRCEGFRJAK2JAK1
SCHEMBL28768608 0.83 JAK2 (0.40) BTKSRCEGFRJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107870-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES KINNATE BIOPHARMA INC. (US) 2023-06-15 — — WO disclosed
US-11572353-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2023-02-07 — — US disclosed
EP-3517535-B1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2022-06-29 — — EP disclosed
CN-109843873-B Alkyne heterocyclic compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-06-17 — — CN disclosed
WO-2022042613-A1 1H-PYRAZOL-4-AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海和誉生物医药科技有限公司 2022-03-03 — — WO disclosed
US-20210332027-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-10-28 — — US disclosed
US-11059805-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-07-13 — — US disclosed
US-20200339541-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2020-10-29 — — US disclosed
US-10710981-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2020-07-14 — — US disclosed
EP-3517535-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2019-07-31 — — EP disclosed
US-20190210997-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-07-11 — — 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 (6 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-20200339541-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF FGFR1, FGFR4, FGFR3 GPR119 391/4885BTK 107/4885SRC 24/4885
US-20190210997-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF FGFR1, FGFR4, FGFR3 GPR119 391/4885BTK 107/4885SRC 24/4885
US-11572353-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof FGFR1, FGFR4, FGFR3 GPR119 391/4885BTK 107/4885SRC 24/4885
US-10710981-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof FGFR1, FGFR4, FGFR3 GPR119 391/4885BTK 107/4885SRC 24/4885
US-20210332027-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF FGFR1, FGFR4, FGFR3 GPR119 391/4885BTK 107/4885SRC 24/4885
US-11059805-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof FGFR1, FGFR4, FGFR3 GPR119 391/4885BTK 107/4885SRC 24/4885

“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.