SCHEMBL10062093

SCHEMBL10062093

C[C@@H]1CCNCC1N(C)c1ccnc2[nH]ccc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.58
JAK1 P23458 11/20 0.58
JAK2 O60674 6/20 0.58
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
TYK2 P29597 1/20 0.38
PRKCI P41743 1/20 0.38

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
SCHEMBL352184 1.00 JAK3 (0.58) JAK3JAK1JAK2ROCK2ROCK1
SCHEMBL15390126 0.86 JAK1 (0.56) JAK3JAK1JAK2ROCK2ROCK1
SCHEMBL15389489 0.81 JAK2 (0.51) JAK3JAK1JAK2ROCK2ROCK1
SCHEMBL1120755 0.81 JAK3 (0.72) JAK3JAK1JAK2TYK2
SCHEMBL19757378 0.81 JAK3 (0.72) JAK3JAK1JAK2TYK2
SCHEMBL18134011 0.81 JAK3 (0.72) JAK3JAK1JAK2TYK2
SCHEMBL18124371 0.81 JAK3 (0.72) JAK3JAK1JAK2TYK2
SCHEMBL11949307 0.81 JAK3 (0.72) JAK3JAK1JAK2TYK2
SCHEMBL28412373 0.81 JAK3 (0.72) JAK3JAK1JAK2TYK2
SCHEMBL29216398 0.81 JAK3 (0.72) JAK3JAK1JAK2TYK2

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-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.