SCHEMBL2086283

SCHEMBL2086283

Cn1ccc(S(=O)(=O)N2CCN(C(CF)Cn3cc(-c4ncnc5[nH]ccc45)cn3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.43
HDAC6 Q9UBN7 7/20 0.43
HDAC1 Q13547 6/20 0.42
JAK1 P23458 13/20 0.42
JAK3 P52333 9/20 0.42
TYK2 P29597 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
CIT O14578 1/20 0.41
GAK O14976 1/20 0.41
ROCK2 O75116 1/20 0.41
ULK1 O75385 1/20 0.41
PRKCB P05771 1/20 0.41
RET P07949 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
SCHEMBL1498831 0.86 TYRO3 (0.47) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL2085646 0.81 JAK2 (0.47) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL1498869 0.81 JAK2 (0.48) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL2084638 0.79 TYRO3 (0.57) JAK2HDAC6JAK1JAK3TYK2
Phosphoric Acid SCHEMBL1498772 0.78 JAK2 (0.47) JAK2HDAC6HDAC1JAK1JAK3
Phosphoric Acid SCHEMBL1499016 0.78 JAK2 (0.47) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL3378554 0.76 JAK2 (0.45) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL2086186 0.75 JAK2 (0.55) JAK2HDAC6JAK1JAK3TYK2
SCHEMBL27182358 0.74 JAK2 (0.51) JAK2JAK1
SCHEMBL872222 0.73 JAK2 (0.75) JAK2JAK1JAK3TYK2CIT

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 2 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 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 3/4885HDAC6 1374/4885HDAC1 1148/4885

“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.