SCHEMBL21114994

SCHEMBL21114994

C[Si](C)(C)CCOCn1cc(C(N)=O)c(I)n1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
BTK Q06187 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3799462 0.87 NPC1 (0.33) NPC1
SCHEMBL2703593 0.87 KLKB1 (0.33) NPC1
SCHEMBL2703610 0.83 TEAD2 (0.36) L3MBTL1
SCHEMBL21544284 0.80 NPC1 (0.32) NPC1
SCHEMBL3757896 0.79 MAPT (0.33) NPC1
SCHEMBL3757901 0.79 MAPT (0.33) NPC1
SCHEMBL25413973 0.78 DGAT1 (0.34) NPC1
SCHEMBL29050026 0.78 DGAT1 (0.32) NPC1
SCHEMBL2704688 0.77 RAB9A (0.33) NPC1L3MBTL1
SCHEMBL2705117 0.77 NPC1 (0.33) NPC1

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
CN-115448908-B Compounds for the treatment of specific leukemias 拓臻股份有限公司 2025-04-25 CN disclosed
CN-115215838-B Compounds for the treatment of specific leukemias 拓臻股份有限公司 2025-04-04 CN 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
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 NPC1 388/4885BTK 107/4885L3MBTL1 3859/4885
US-20190210997-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF FGFR1, FGFR4, FGFR3 NPC1 388/4885BTK 107/4885L3MBTL1 3859/4885
US-11572353-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof FGFR1, FGFR4, FGFR3 NPC1 388/4885BTK 107/4885L3MBTL1 3859/4885
US-10710981-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof FGFR1, FGFR4, FGFR3 NPC1 388/4885BTK 107/4885L3MBTL1 3859/4885
US-20210332027-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF FGFR1, FGFR4, FGFR3 NPC1 388/4885BTK 107/4885L3MBTL1 3859/4885
US-11059805-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof FGFR1, FGFR4, FGFR3 NPC1 388/4885BTK 107/4885L3MBTL1 3859/4885

“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.