SCHEMBL98884

SCHEMBL98884

CCC(C(=O)NCc1ccc(-c2ccccc2)cc1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.55
JAK2 O60674 17/20 0.49
JAK1 P23458 9/20 0.49
HDAC6 Q9UBN7 8/20 0.49
HDAC1 Q13547 6/20 0.49
JAK3 P52333 5/20 0.49
TYK2 P29597 4/20 0.49
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
NCOR2 Q9Y618 2/20 0.49
HDAC9 Q9UKV0 1/20 0.49
KIT P10721 2/20 0.48
MAP3K19 Q56UN5 2/20 0.48
PDGFRB P09619 1/20 0.48
FLT3 P36888 1/20 0.48
DAPK3 O43293 2/20 0.43
PAK4 O96013 2/20 0.43

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
SCHEMBL102098 0.93 JAK2 (0.47) BTKJAK2JAK1HDAC6HDAC1
SCHEMBL102510 0.88 CIT (0.53) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL100036 0.85 JAK2 (0.55) BTKJAK2JAK1HDAC6HDAC1
SCHEMBL101059 0.85 JAK2 (0.53) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL29541184 0.81 JAK2 (0.49) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL99770 0.81 JAK2 (0.49) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL99913 0.80 JAK2 (0.48) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL29541153 0.79 JAK2 (0.49) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL99606 0.79 JAK2 (0.49) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL99870 0.76 JAK2 (0.54) JAK2JAK1HDAC6HDAC1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2343299-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 claimed
EP-2343299-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-11-04 EP claimed
EP-2348023-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-05-06 EP claimed
CN-103254190-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP 2013-08-21 CN claimed
CN-103214484-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP A DELAWARE CORP 2013-07-24 CN claimed
CN-103214483-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP 2013-07-24 CN claimed
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 claimed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US claimed
EP-2474545-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-07-11 EP claimed
EP-2426129-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-03-07 EP claimed
EP-1966202-B1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2011-09-21 EP claimed
EP-2348023-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-27 EP claimed
EP-2343299-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP claimed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 US claimed
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 claimed
CN-101448826-A Heteroaryl substituted pyrrolo [2 ] as janus kinase inhibitors INCYTE CORP (US) 2009-06-03 CN claimed
EP-1966202-A1 HETEROARYL SUBSTITUTED PYRROLOÝ2,3-B¨PYRIDINES AND PYRROLOÝ2,3-B¨PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2008-09-10 EP claimed
WO-2007070514-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2007-06-21 WO claimed
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 claimed

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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 BTK 64/4885JAK2 3/4885JAK1 2/4885
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 BTK 184/4885JAK2 4/4885JAK1 1/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 BTK 64/4885JAK2 3/4885JAK1 2/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 BTK 64/4885JAK2 3/4885JAK1 2/4885

“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.