SCHEMBL20183338

SCHEMBL20183338

N#CCC(=O)N1C[CH]CCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
JAK2 O60674 12/20 0.33
JAK3 P52333 12/20 0.33
JAK1 P23458 10/20 0.33
TYK2 P29597 4/20 0.33
ATM Q13315 1/20 0.31
KCNH2 Q12809 1/20 0.31
CTSK P43235 1/20 0.31
RORC P51449 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
SCHEMBL22370795 0.95 ALDH1A1 (0.39) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL28125768 0.89 KDM4E (0.42) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL1899746 0.78
SCHEMBL1894338 0.78 ATM (0.50) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL20183380 0.77 KDM4E (0.47) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL16803442 0.77 ATM (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL1002719 0.77 ATM (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11250885 0.77 ATM (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11459061 0.76 CTSK (0.46) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL10644138 0.76 BLM (0.40) MEN1ALDH1A1KMT2AL3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof YANG JI CHEMICAL CO., LTD. (KR) 2019-09-10 US claimed
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF YANG JI CHEMICAL CO., LTD. (KR) 2018-08-23 US claimed
EP-3327021-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF Yangji Chemical Co., Ltd. (KR) 2018-05-30 EP claimed
CN-111491938-A Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2020-08-04 CN disclosed
CN-108137608-B Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2020-06-19 CN disclosed
US-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof YANG JI CHEMICAL CO., LTD. (KR) 2019-09-10 US disclosed
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF YANG JI CHEMICAL CO., LTD. (KR) 2018-08-23 US disclosed
WO-2018103058-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2018-06-14 WO disclosed
EP-3327021-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF Yangji Chemical Co., Ltd. (KR) 2018-05-30 EP 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 (2 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-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof JAK1, JAK2, JAK3 MEN1 655/4885ALDH1A1 937/4885MAPT 2641/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 MEN1 1074/4885ALDH1A1 1938/4885MAPT 2117/4885

“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.