SCHEMBL9921759

SCHEMBL9921759

CC(CC#N)c1cncc(Sc2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
SLC6A4 P31645 1/20 0.35
MCL1 Q07820 3/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP19A1 P11511 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PBRM1 Q86U86 1/20 0.31
RECQL P46063 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
SCHEMBL9918237 0.86 MCL1 (0.35) CTSLCTSKALDH1A1L3MBTL1KDM4E
SCHEMBL19592368 0.81 CTSL (0.32) CTSLCTSKALDH1A1L3MBTL1KDM4E
SCHEMBL13540976 0.80 AR (0.32)
SCHEMBL171766 0.78 CTSK (0.55) CTSLCTSKALDH1A1CYP11B1CYP11B2
SCHEMBL12303213 0.78 MAPK1 (0.33)
SCHEMBL13541201 0.76 FBP1 (0.33) CTSK
SCHEMBL12309896 0.75 MAOA (0.39) MAOAMAOB
SCHEMBL171816 0.75 MAOA (0.39) MAOAMAOB
SCHEMBL13540968 0.73 NAMPT (0.37) CTSLCTSKKDM4EPRMT5WDR77
SCHEMBL13540971 0.73 CTSL (0.35) CTSLCTSKPBRM1SLC22A12

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
EP-3838903-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2021-06-23 EP disclosed
EP-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 EP disclosed
EP-2343298-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2020-05-06 EP disclosed
EP-3466953-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2019-04-10 EP disclosed
US-9814722-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-11-14 US disclosed
EP-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 EP disclosed
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 US disclosed
US-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2017-03-16 US disclosed
EP-2348023-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed
US-20140243360-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION (US) 2014-08-28 US disclosed
US-20140018374-A1 Heteroaryl Substituted Pyrrolo[2,3-B]Pyridines And Pyrrolo[2,3-B]Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION (US) 2014-01-16 US disclosed
US-8541425-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-09-24 US disclosed
US-8530485-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-09-10 US disclosed
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-7598257-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2009-10-06 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 US disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 US 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 (7 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-20140243360-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 CTSL 4032/4885CTSK 2821/4885ALDH1A1 3413/4885
US-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 CTSL 4032/4885CTSK 2821/4885ALDH1A1 3413/4885
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CTSL 4032/4885CTSK 2821/4885ALDH1A1 3413/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 CTSL 2827/4885CTSK 1456/4885ALDH1A1 2035/4885
US-20140018374-A1 Heteroaryl Substituted Pyrrolo[2,3-B]Pyridines And Pyrrolo[2,3-B]Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 CTSL 4032/4885CTSK 2821/4885ALDH1A1 3413/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CTSL 4032/4885CTSK 2821/4885ALDH1A1 3413/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 CTSL 4699/4885CTSK 2774/4885ALDH1A1 1507/4885

“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.