SCHEMBL4077754

SCHEMBL4077754

COc1nc(C(C)C)ccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.48
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
GAA P10253 2/20 0.39
AR P10275 2/20 0.38
IDH1 O75874 2/20 0.38
POLB P06746 3/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CLK1 P49759 1/20 0.35
HSD17B10 Q99714 1/20 0.35
USP8 P40818 1/20 0.35

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
SCHEMBL2415067 0.84 L3MBTL1 (0.51) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3967035 0.76 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL12775196 0.76 KDM5A (0.36) KDM4EALDH1A1L3MBTL1ARIDH1
SCHEMBL2176428 0.74 L3MBTL1 (0.58) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL531211 0.74 MAPK1 (0.33) ALDH1A1L3MBTL1IMPDH2IMPDH1AR
SCHEMBL1937421 0.74 KDM4E (0.54) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4760466 0.74 ALDH1A1 (0.45) KDM4EALDH1A1L3MBTL1GAAAR
SCHEMBL810127 0.74 L3MBTL1 (0.33) KDM4EALDH1A1L3MBTL1IMPDH2IMPDH1
SCHEMBL5857653 0.74 TRPV4 (0.33) ALDH1A1L3MBTL1IMPDH2IMPDH1AR
SCHEMBL810776 0.74 KDM4E (0.41) KDM4EALDH1A1GAAMAPTUSP2

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-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2023-02-09 US disclosed
US-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORPORATION 2020-12-24 US disclosed
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2017-08-31 US disclosed
US-9464088-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-10-11 US disclosed
US-20140275031-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-8765734-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2011-09-15 US disclosed
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2011-09-15 US disclosed
US-7601736-B2 Such as 3,4-dihydro-pyrano[3,4-c]pyridine-1-on; cytokine suppressive antiinflammatory drugs; analgesics SK CHEMICALS CO., LTD. (KR) 2009-10-13 US disclosed
EP-1706412-A4 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS CO LTD (KR) 2009-03-18 EP disclosed
US-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same SK CHEMICALS CO., LTD. (KR) 2007-11-01 US disclosed
EP-1706412-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK Chemicals, Co., Ltd. (KR) 2006-10-04 EP disclosed
WO-2005063768-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS, CO., LTD. (KR) 2005-07-14 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 (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-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 KDM4E 248/4885ALDH1A1 1457/4885MEN1 2382/4885
US-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same IL5, IL1B, P2RY4 KDM4E 405/4885ALDH1A1 1008/4885MEN1 4806/4885
US-20140275031-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 KDM4E 248/4885ALDH1A1 1457/4885MEN1 2382/4885
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 KDM4E 248/4885ALDH1A1 1457/4885MEN1 2382/4885
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 KDM4E 248/4885ALDH1A1 1457/4885MEN1 2382/4885
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 KDM4E 347/4885ALDH1A1 1373/4885MEN1 1677/4885

“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.