SCHEMBL1499221

SCHEMBL1499221

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.48
JAK1 P23458 17/20 0.48
JAK3 P52333 11/20 0.48
TYK2 P29597 4/20 0.48
TYRO3 Q06418 1/20 0.47
RET P07949 3/20 0.46
ROCK1 Q13464 3/20 0.46
HDAC6 Q9UBN7 2/20 0.46
CIT O14578 2/20 0.46
GAK O14976 2/20 0.46
ROCK2 O75116 2/20 0.46
ULK1 O75385 2/20 0.46
PRKCA P17252 2/20 0.46
PRKACA P17612 2/20 0.46
MARK3 P27448 2/20 0.46
CLK1 P49759 2/20 0.46
MAP3K1 Q13233 2/20 0.46
CAMK2G Q13555 2/20 0.46
CAMK2D Q13557 2/20 0.46
PKN1 Q16512 2/20 0.46

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
SCHEMBL2086258 0.91 JAK2 (0.51) JAK2JAK1JAK3TYK2TYRO3
SCHEMBL1499121 0.90 TYRO3 (0.59) JAK2JAK1JAK3TYK2TYRO3
SCHEMBL12832445 0.89 JAK2 (0.49) JAK2JAK1JAK3TYK2TYRO3
SCHEMBL1499335 0.87 TYRO3 (0.56) JAK2JAK1JAK3TYK2TYRO3
SCHEMBL12780536 0.82 JAK2 (0.47) JAK2JAK1JAK3TYK2TYRO3
SCHEMBL1499140 0.81 JAK2 (0.48) JAK2JAK1JAK3TYK2TYRO3
SCHEMBL1498869 0.81 JAK2 (0.48) JAK2JAK1JAK3TYK2TYRO3
SCHEMBL1499313 0.80 JAK1 (0.47) JAK2JAK1JAK3TYK2TYRO3
SCHEMBL1499062 0.80 JAK2 (0.47) JAK2JAK1JAK3TYK2TYRO3
SCHEMBL2084621 0.80 TYRO3 (0.55) JAK2JAK1JAK3TYK2TYRO3

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
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 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
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.