SCHEMBL847365

SCHEMBL847365

CCCCCC(CC)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.80
JAK1 P23458 12/20 0.80
HDAC6 Q9UBN7 8/20 0.58
JAK3 P52333 7/20 0.58
TYK2 P29597 6/20 0.58
HDAC1 Q13547 6/20 0.58
HDAC3 O15379 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
NCOR2 Q9Y618 2/20 0.58
HDAC9 Q9UKV0 1/20 0.58
RET P07949 3/20 0.51
ROCK1 Q13464 3/20 0.51
DAPK3 O43293 2/20 0.51
PAK4 O96013 2/20 0.51
ABL1 P00519 2/20 0.51
LTK P29376 2/20 0.51
CSNK1A1 P48729 2/20 0.51

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
SCHEMBL29780369 1.00 JAK2 (0.80) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL13695710 0.97 JAK2 (0.80) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL4115196 0.92 JAK2 (0.70) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL13695658 0.90 JAK2 (0.69) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL13064685 0.89 JAK2 (0.78) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL859886 0.89 JAK2 (1.00) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL848835 0.89 JAK2 (1.00) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL860196 0.89 JAK2 (1.00) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL29540692 0.88 JAK2 (0.64) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL98856 0.88 JAK2 (0.64) JAK2JAK1HDAC6JAK3TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3643312-A1 3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]OCTANE- OR HEPTANE-NITRILE AS JAK INHIBITORS Incyte Holdings Corporation (US) 2020-04-29 EP disclosed
EP-3600440-A1 REDUCED EXPOSURE CONJUGATES MODULATING THERAPEUTIC TARGETS Sienna Biopharmaceuticals, Inc. (US) 2020-02-05 EP disclosed
WO-2020023389-A1 REDUCED EXPOSURE COMPOSITIONS MODULATING THERAPEUTIC TARGETS SIENNA BIOPHARMACEUTICALS, INC. (US) 2020-01-30 WO disclosed
EP-2432472-B1 3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]OCTANE- OR HEPTANE-NITRILE AS JAK INHIBITORS INCYTE HOLDINGS CORP (US) 2019-10-02 EP disclosed
WO-2018175340-A1 REDUCED EXPOSURE CONJUGATES MODULATING THERAPEUTIC TARGETS SIENNA BIOPHARMACEUTICALS, INC. (US) 2018-09-27 WO disclosed
WO-2018175315-A1 POLYMER CONJUGATES OF STAUROSPORINE DERIVATIVES HAVING REDUCED EXPOSURE SIENNA BIOPHARMACEUTICALS, INC. (US) 2018-09-27 WO disclosed
US-9623029-B2 3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]octane- or heptane-nitrile as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-04-18 US disclosed
US-20160067253-A1 3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]OCTANE- OR HEPTANE-NITRILE AS JAK INHIBITORS INCYTE HOLDINGS CORPORATION (US) 2016-03-10 US disclosed
US-20140073657-A1 3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]OCTANE- OR HEPTANE-NITRILE AS JAK INHIBITORS INCYTE CORPORATION 2014-03-13 US disclosed
CN-102458411-A 3- [4- (7H-pyrrolo [2,3-D ] pyrimidin-4-yl) -1H-pyrazol-1-yl ] octane-or heptane-carbonitriles as JAK inhibitors INCYTE CORP 2012-05-16 CN disclosed
EP-2432472-A1 3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]OCTANE- OR HEPTANE-NITRILE AS JAK INHIBITORS Incyte Corporation (US) 2012-03-28 EP disclosed
EP-2432472-A1 3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]OCTANE- OR HEPTANE-NITRILE AS JAK INHIBITORS Incyte Corporation (US) 2012-03-28 EP disclosed
WO-2010135621-A1 3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]OCTANE- OR HEPTANE-NITRILE AS JAK INHIBITORS INCYTE CORPORATION (US) 2010-11-25 WO disclosed
US-20100298355-A1 3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]OCTANE- OR HEPTANE-NITRILE AS JAK INHIBITORS INCYTE CORPORATION 2010-11-25 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-20100298355-A1 3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]OCTANE- OR HEPTANE-NITRILE AS JAK INHIBITORS JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885HDAC6 1491/4885
US-20160067253-A1 3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]OCTANE- OR HEPTANE-NITRILE AS JAK INHIBITORS JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885HDAC6 1491/4885
US-20140073657-A1 3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]OCTANE- OR HEPTANE-NITRILE AS JAK INHIBITORS JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885HDAC6 1491/4885

“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.