SCHEMBL2086258

SCHEMBL2086258

CCC(CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.51
JAK1 P23458 16/20 0.51
TYRO3 Q06418 2/20 0.51
JAK3 P52333 9/20 0.49
TYK2 P29597 2/20 0.49
CIT O14578 1/20 0.49
GAK O14976 1/20 0.49
ROCK2 O75116 1/20 0.49
ULK1 O75385 1/20 0.49
PRKCB P05771 1/20 0.49
RET P07949 1/20 0.49
PRKCA P17252 1/20 0.49
PRKACA P17612 1/20 0.49
MARK3 P27448 1/20 0.49
STAT3 P40763 1/20 0.49
CLK1 P49759 1/20 0.49
CSNK1G2 P78368 1/20 0.49
PRKCD Q05655 1/20 0.49
MAP3K1 Q13233 1/20 0.49
ROCK1 Q13464 1/20 0.49

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
SCHEMBL1499121 0.93 TYRO3 (0.59) JAK2JAK1TYRO3JAK3TYK2
SCHEMBL1499221 0.91 JAK2 (0.48) JAK2JAK1TYRO3JAK3TYK2
SCHEMBL1499335 0.90 TYRO3 (0.56) JAK2JAK1TYRO3JAK3TYK2
SCHEMBL1499313 0.89 JAK1 (0.47) JAK2JAK1TYRO3JAK3TYK2
SCHEMBL1499134 0.87 JAK1 (0.49) JAK2JAK1TYRO3JAK3TYK2
SCHEMBL2085256 0.87 TYRO3 (0.46) JAK2JAK1TYRO3JAK3TYK2
SCHEMBL2086597 0.87 JAK1 (0.59) JAK2JAK1TYRO3JAK3TYK2
SCHEMBL1499192 0.85 JAK1 (0.61) JAK2JAK1TYRO3JAK3TYK2
SCHEMBL2086916 0.83 JAK2 (0.47) JAK2JAK1TYRO3JAK3TYK2
SCHEMBL2085803 0.83 TYRO3 (0.51) JAK2JAK1TYRO3JAK3TYK2

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 2/4885TYRO3 107/4885

“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.