SCHEMBL20183380

SCHEMBL20183380

N#CCC(=O)N1CC[CH]CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
JAK2 O60674 5/20 0.36
JAK3 P52333 5/20 0.36
RORC P51449 1/20 0.35
MCL1 Q07820 2/20 0.34
JAK1 P23458 6/20 0.34
NAMPT P43490 1/20 0.33
TYK2 P29597 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
ATM Q13315 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 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
SCHEMBL28125768 0.88 KDM4E (0.42) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL14417884 0.84 KDM4E (0.54) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL1894338 0.80 ATM (0.50) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL1899746 0.80
SCHEMBL11459061 0.79 CTSK (0.46) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL1002719 0.78 ATM (0.48) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL11250885 0.78 ATM (0.48) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL16803442 0.78 ATM (0.48) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL20183338 0.77 MEN1 (0.40) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL11259780 0.77 ATM (0.46) KDM4EMEN1ALDH1A1KMT2AMAPT

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 13 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
CN-108137608-A Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2018-06-08 CN claimed
EP-3327021-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF Yangji Chemical Co., Ltd. (KR) 2018-05-30 EP claimed
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
CN-108137608-A Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2018-06-08 CN disclosed
EP-3327021-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF Yangji Chemical Co., Ltd. (KR) 2018-05-30 EP disclosed
CN-104650092-B Substituted heteroaryl compound and combinations thereof and purposes 广东东阳光药业有限公司 2017-11-10 CN disclosed
CN-106458912-A Bicyclic fused heteroaryl or aryl compounds and their use as IRAK4 mimetics 辉瑞公司 2017-02-22 CN disclosed
CN-104650092-A Substituted ceteroary compound as well as composition and application thereof GUANGDONG HEC PHARMACEUTICAL 2015-05-27 CN 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 KDM4E 989/4885MEN1 655/4885ALDH1A1 937/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 KDM4E 1606/4885MEN1 1074/4885ALDH1A1 1938/4885

“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.