SCHEMBL10062123

SCHEMBL10062123

C[C@@H]1CCN(C(=O)CCc2ccccc2)CC1N(C)c1ccnc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.56
JAK1 P23458 12/20 0.56
JAK2 O60674 11/20 0.56
TYK2 P29597 6/20 0.56
PKN2 Q16513 4/20 0.56
AURKB Q96GD4 2/20 0.56
ROCK2 O75116 3/20 0.53
PRKCD Q05655 3/20 0.53
STK3 Q13188 3/20 0.53
ROCK1 Q13464 3/20 0.53
CAMK2D Q13557 3/20 0.53
LRRK2 Q5S007 3/20 0.53
MARK3 P27448 2/20 0.53
MARK2 Q7KZI7 2/20 0.53
DCLK1 O15075 2/20 0.53
ABL1 P00519 2/20 0.53
LCK P06239 2/20 0.53
FYN P06241 2/20 0.53
RET P07949 2/20 0.53
DMPK Q09013 2/20 0.53

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
SCHEMBL351884 1.00 JAK3 (0.56) JAK3JAK1JAK2TYK2PKN2
SCHEMBL10062122 0.93 JAK3 (0.53) JAK3JAK1JAK2TYK2PKN2
SCHEMBL352182 0.93 JAK3 (0.53) JAK3JAK1JAK2TYK2PKN2
SCHEMBL10079938 0.88 JAK3 (0.51) JAK3JAK1JAK2TYK2PKN2
SCHEMBL353206 0.88 JAK3 (0.51) JAK3JAK1JAK2TYK2PKN2
SCHEMBL10079839 0.86 JAK3 (0.52) JAK3JAK1JAK2TYK2PKN2
SCHEMBL353195 0.86 JAK3 (0.52) JAK3JAK1JAK2TYK2PKN2
SCHEMBL10062186 0.86 JAK3 (0.64) JAK3JAK1JAK2TYK2PKN2
SCHEMBL352176 0.86 JAK3 (0.64) JAK3JAK1JAK2TYK2PKN2
SCHEMBL3310944 0.85 JAK3 (0.58) JAK3JAK1JAK2TYK2PKN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2671882-B1 pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2m3-b]pyrimidin-4-yl-amines as janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2018-02-21 EP disclosed
US-9879010-B2 Pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2,3-b] pyrimidin-5-yl-amines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2018-01-30 US disclosed
US-9879010-B2 Pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2,3-b] pyrimidin-5-yl-amines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2018-01-30 US disclosed
US-20170349579-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-AMINES AND PYRROLO[2,3-B]PYRIMIDIN-5-YL-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2017-12-07 US disclosed
US-20170349579-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-AMINES AND PYRROLO[2,3-B]PYRIMIDIN-5-YL-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2017-12-07 US disclosed
US-9580419-B2 Pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2,3-b]pyrimidin-5-yl-amines as Janus kinase inhibitors INCYTE CORPORATION (US) 2017-02-28 US disclosed
US-9580419-B2 Pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2,3-b]pyrimidin-5-yl-amines as Janus kinase inhibitors INCYTE CORPORATION (US) 2017-02-28 US disclosed
US-20150315185-A1 PYRROLO[2,3-b]PYRIDIN-4-YL-AMINES AND PYRROLO[2,3-b]PYRIMIDIN-5-YL-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2015-11-05 US disclosed
US-20150315185-A1 PYRROLO[2,3-b]PYRIDIN-4-YL-AMINES AND PYRROLO[2,3-b]PYRIMIDIN-5-YL-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2015-11-05 US disclosed
US-9090611-B2 Pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2,3-b]pyrimidin-5-yl-amines as janus kinase inhibitors INCYTE CORPORATION (US) 2015-07-28 US disclosed
US-20130296299-A1 PYRROLO[2,3-b]PYRIDIN-4-YL-AMINES AND PYRROLO[2,3-b]PYRIMIDIN-5-YL-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-11-07 US disclosed
US-8445488-B2 Pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2,3-b]pyrimidin-5-yl-amines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-05-21 US disclosed
US-8445488-B2 Pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2,3-b]pyrimidin-5-yl-amines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-05-21 US disclosed
US-20120014989-A1 PYRROLO[2,3-b]PYRIDIN-4-YL-AMINES AND PYRROLO[2,3-b]PYRIMIDIN-5-YL-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2012-01-19 US disclosed
US-20120014989-A1 PYRROLO[2,3-b]PYRIDIN-4-YL-AMINES AND PYRROLO[2,3-b]PYRIMIDIN-5-YL-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2012-01-19 US disclosed
US-8053433-B2 Pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2,3-b]pyrimidin-5-yl-amines as janus kinase inhibitors Ineyte Corporation (US) 2011-11-08 US disclosed
US-8053433-B2 Pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2,3-b]pyrimidin-5-yl-amines as janus kinase inhibitors Ineyte Corporation (US) 2011-11-08 US disclosed
US-20110086835-A1 Pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2,3-b]pyrimidin-5-yl-amines as janus kinase inhibitors INCYTE CORPORATION, A DELAWARE CORPORATION 2011-04-14 US disclosed
US-20110086835-A1 Pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2,3-b]pyrimidin-5-yl-amines as janus kinase inhibitors INCYTE CORPORATION, A DELAWARE CORPORATION 2011-04-14 US disclosed
US-7335667-B2 Pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2,3-b]pyrimidin-4-yl-amines as Janus kinase inhibitors INCYTE CORPORATION (US) 2008-02-26 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 (5 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-20110086835-A1 Pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2,3-b]pyrimidin-5-yl-amines as janus kinase inhibitors JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885JAK2 3/4885
US-20170349579-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-AMINES AND PYRROLO[2,3-B]PYRIMIDIN-5-YL-AMINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885JAK2 3/4885
US-20130296299-A1 PYRROLO[2,3-b]PYRIDIN-4-YL-AMINES AND PYRROLO[2,3-b]PYRIMIDIN-5-YL-AMINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885JAK2 3/4885
US-20150315185-A1 PYRROLO[2,3-b]PYRIDIN-4-YL-AMINES AND PYRROLO[2,3-b]PYRIMIDIN-5-YL-AMINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885JAK2 3/4885
US-20120014989-A1 PYRROLO[2,3-b]PYRIDIN-4-YL-AMINES AND PYRROLO[2,3-b]PYRIMIDIN-5-YL-AMINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885JAK2 3/4885

“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.