SCHEMBL353197

SCHEMBL353197

CN(c1ccnc2[nH]ccc12)[C@H]1CN(C(=O)O)CC[C@H]1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.49
JAK3 P52333 15/20 0.46
JAK2 O60674 14/20 0.45
TYK2 P29597 5/20 0.43
PKN2 Q16513 3/20 0.43
AURKB Q96GD4 2/20 0.43
ROCK2 O75116 2/20 0.41
MARK3 P27448 2/20 0.41
PRKCD Q05655 2/20 0.41
STK3 Q13188 2/20 0.41
ROCK1 Q13464 2/20 0.41
CAMK2D Q13557 2/20 0.41
LRRK2 Q5S007 2/20 0.41
MARK2 Q7KZI7 2/20 0.41
MAP4K3 Q8IVH8 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
DCLK1 O15075 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL353084 0.89 JAK1 (0.52) JAK1JAK3JAK2TYK2PKN2
SCHEMBL3310944 0.84 JAK3 (0.58) JAK1JAK3JAK2TYK2PKN2
SCHEMBL15389489 0.80 JAK2 (0.51) JAK1JAK3JAK2TYK2AURKB
SCHEMBL10079839 0.80 JAK3 (0.52) JAK1JAK3JAK2TYK2PKN2
SCHEMBL10062123 0.80 JAK3 (0.56) JAK1JAK3JAK2TYK2PKN2
SCHEMBL351884 0.80 JAK3 (0.56) JAK1JAK3JAK2TYK2PKN2
SCHEMBL353195 0.80 JAK3 (0.52) JAK1JAK3JAK2TYK2PKN2
SCHEMBL10079938 0.78 JAK3 (0.51) JAK1JAK3JAK2TYK2PKN2
SCHEMBL353206 0.78 JAK3 (0.51) JAK1JAK3JAK2TYK2PKN2
SCHEMBL5547732 0.78 JAK3 (0.57) JAK1JAK3JAK2TYK2PKN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 JAK1 2/4885JAK3 1/4885JAK2 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 JAK1 2/4885JAK3 1/4885JAK2 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 JAK1 2/4885JAK3 1/4885JAK2 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.