SCHEMBL2086186

SCHEMBL2086186

Cn1ccc(S(=O)(=O)N2CCC(CC(CC#N)n3cc(-c4ncnc5[nH]ccc45)cn3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.55
JAK1 P23458 14/20 0.55
JAK3 P52333 5/20 0.53
RET P07949 3/20 0.53
ROCK1 Q13464 3/20 0.53
TYK2 P29597 3/20 0.53
DAPK3 O43293 2/20 0.53
PAK4 O96013 2/20 0.53
ABL1 P00519 2/20 0.53
LTK P29376 2/20 0.53
CSNK1A1 P48729 2/20 0.53
CLK2 P49760 2/20 0.53
TNK2 Q07912 2/20 0.53
DYRK1A Q13627 2/20 0.53
IKBKE Q14164 2/20 0.53
NTRK3 Q16288 2/20 0.53
NTRK2 Q16620 2/20 0.53
LRRK2 Q5S007 2/20 0.53
TAOK1 Q7L7X3 2/20 0.53
CAMK1D Q8IU85 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
SCHEMBL2084638 0.89 TYRO3 (0.57) JAK2JAK1JAK3RETROCK1
SCHEMBL1498853 0.88 JAK2 (0.48) JAK2JAK1JAK3RETROCK1
SCHEMBL1498840 0.86 JAK2 (0.61) JAK2JAK1JAK3RETROCK1
SCHEMBL101072 0.84 JAK2 (0.70) JAK2JAK1JAK3RETROCK1
SCHEMBL101686 0.84 JAK2 (0.70) JAK2JAK1JAK3RETROCK1
SCHEMBL100966 0.84 JAK2 (0.70) JAK2JAK1JAK3RETROCK1
SCHEMBL2085646 0.81 JAK2 (0.47) JAK2JAK1JAK3RETROCK1
SCHEMBL1498831 0.81 TYRO3 (0.47) JAK2JAK1JAK3RETROCK1
SCHEMBL1498869 0.80 JAK2 (0.48) JAK2JAK1JAK3RETROCK1
SCHEMBL2396326 0.79 JAK2 (0.77) JAK2JAK1JAK3RETROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US claimed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 US claimed
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US disclosed
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US disclosed
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US disclosed
WO-2011028685-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-D]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-03-10 WO disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 US disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 US disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 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 (1 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-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885JAK3 1/4885

“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.