SCHEMBL18976304

SCHEMBL18976304

CCCCS(=O)(=O)N1CC(=CC#N)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
DRD3 P35462 1/20 0.33
NPC1 O15118 2/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPK1 P28482 1/20 0.32
AGTR1 P30556 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL20527949 0.90 TSHR (0.36) ALDH1A1MAPTDRD3LMNAPOLB
SCHEMBL18975956 0.76 JAK2 (0.31)
SCHEMBL20527980 0.75 EPHX2 (0.31) EPHX2
SCHEMBL21775412 0.71 CA1 (0.31)
SCHEMBL5256743 0.69 ALDH1A1 (0.42) HDAC1ALDH1A1MAPTNPC1S1PR2
SCHEMBL7132578 0.68 L3MBTL1 (0.44) ALDH1A1MAPTNPC1S1PR2S1PR4
SCHEMBL734812 0.68 L3MBTL1 (0.44) ALDH1A1MAPTNPC1S1PR2S1PR4
SCHEMBL21341346 0.67
SCHEMBL20527971 0.66 POLB (0.45) ALDH1A1MAPTLMNAPOLBHPGD
SCHEMBL13013076 0.65 L3MBTL1 (0.41) ALDH1A1MAPTNPC1S1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113149993-A Pyrrolopyrimidine derivative compound, pharmaceutical composition and application thereof 北京普祺医药科技有限公司 2021-07-23 CN 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
CN-109867675-B Pyrrolopyrimidine derivative compound, pharmaceutical composition and application thereof 北京普祺医药科技有限公司 2021-01-19 CN 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-10159662-B2 Azetidine derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-12-25 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 (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-11045455-B2 Azetidine derivative, preparation method therefor, and use thereof JAK1, JAK2, JAK3 HDAC1 3442/4885ALDH1A1 1785/4885MAPT 4402/4885
US-20200147062-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF JAK1, JAK2, JAK3 HDAC1 3442/4885ALDH1A1 1785/4885MAPT 4402/4885
US-10159662-B2 Azetidine derivative, preparation method therefor, and use thereof JAK1, JAK2, JAK3 HDAC1 3442/4885ALDH1A1 1785/4885MAPT 4402/4885
US-20180289680-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF JAK1, JAK2, JAK3 HDAC1 3442/4885ALDH1A1 1785/4885MAPT 4402/4885

“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.