SCHEMBL18975732

SCHEMBL18975732

C[Si](C)(C)CCOCn1cnc2c(Cl)ccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.35
DGAT1 O75907 3/20 0.35
PNP P00491 2/20 0.34
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
EDNRA P25101 1/20 0.34
HTR2A P28223 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
HBB P68871 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
ENPP1 P22413 2/20 0.33
NT5E P21589 1/20 0.32
NSD2 O96028 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL30731006 0.84 DGAT1 (0.40) HPRT1DGAT1PNPTSHRUSP2
SCHEMBL127827 0.84 PNP (0.36) HPRT1DGAT1PNPTSHRUSP2
SCHEMBL22554013 0.84 DGAT1 (0.40) HPRT1DGAT1PNPTSHRUSP2
SCHEMBL29507135 0.82 PNP (0.40) HPRT1DGAT1PNPTSHRUSP2
SCHEMBL27838147 0.81 DGAT1 (0.36) DGAT1MAPT
SCHEMBL23777428 0.80 PNP (0.38) HPRT1DGAT1PNPTSHRUSP2
SCHEMBL29678526 0.80 PNP (0.38) HPRT1DGAT1PNPTSHRUSP2
SCHEMBL20555189 0.80 DGAT1 (0.36) HPRT1DGAT1PNPTSHRUSP2
SCHEMBL31340868 0.80 FDPS (0.45) ENPP1NT5ENSD2NSD3
SCHEMBL357273 0.80 FDPS (0.45) ENPP1NT5ENSD2NSD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190891-A1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-06-13 US disclosed
EP-4182323-B1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARM SPA (IT) 2024-04-24 EP disclosed
EP-4182323-A1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-05-24 EP disclosed
CN-116075307-A Pyridooxazine amino derivatives as ALK5 inhibitors 奇斯药制品公司 2023-05-05 CN disclosed
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-04-21 US disclosed
WO-2022013312-A1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-01-20 WO disclosed
US-11214565-B2 Compound, compositions, and methods DENALI THERAPEUTICS INC. (US) 2022-01-04 US disclosed
US-11045455-B2 Azetidine derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-06-29 US disclosed
US-11045455-B2 Azetidine derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-06-29 US disclosed
EP-3360878-B9 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2021-05-05 EP disclosed
EP-3360878-B9 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2021-05-05 EP disclosed
EP-3360878-B1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2020-09-16 EP disclosed
EP-3360878-B1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2020-09-16 EP disclosed
US-20200147062-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-05-14 US disclosed
US-20200147062-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-05-14 US disclosed
US-10159662-B2 Azetidine derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-12-25 US disclosed
US-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. 2018-11-15 US disclosed
US-20180289680-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-10-11 US disclosed
WO-2017097224-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-15 WO 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 (8 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-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, MAPT HPRT1 170/4885DGAT1 3150/4885PNP 827/4885
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, SNCA HPRT1 152/4885DGAT1 3116/4885PNP 823/4885
US-11214565-B2 Compound, compositions, and methods LRRK2, PARK7, MAPT HPRT1 170/4885DGAT1 3150/4885PNP 827/4885
US-11045455-B2 Azetidine derivative, preparation method therefor, and use thereof JAK1, JAK2, JAK3 HPRT1 3447/4885DGAT1 3425/4885PNP 3187/4885
US-20200147062-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF JAK1, JAK2, JAK3 HPRT1 3447/4885DGAT1 3425/4885PNP 3187/4885
US-10159662-B2 Azetidine derivative, preparation method therefor, and use thereof JAK1, JAK2, JAK3 HPRT1 3447/4885DGAT1 3425/4885PNP 3187/4885
US-20180289680-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF JAK1, JAK2, JAK3 HPRT1 3447/4885DGAT1 3425/4885PNP 3187/4885
US-20240190891-A1 PYRIDO OXAZINE AMINO DERIVATIVES AS ALK5 INHIBITORS TGFBR1, ACVR1, ALK HPRT1 830/4885DGAT1 4181/4885PNP 1798/4885

“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.