Sugi Predict

Sugi Predict / Compounds / SCHEMBL871842

SCHEMBL871842

SCHEMBL871842

N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CCC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.80
▸ JAK1 P23458 18/20 0.80
▸ JAK3 P52333 14/20 0.80
▸ CIT O14578 1/20 0.71
▸ GAK O14976 1/20 0.71
▸ ROCK2 O75116 1/20 0.71
▸ ULK1 O75385 1/20 0.71
▸ PRKCB P05771 1/20 0.71
▸ RET P07949 1/20 0.71
▸ PRKCA P17252 1/20 0.71
▸ PRKACA P17612 1/20 0.71
▸ MARK3 P27448 1/20 0.71
▸ TYK2 P29597 1/20 0.71
▸ STAT3 P40763 1/20 0.71
▸ CLK1 P49759 1/20 0.71
▸ CSNK1G2 P78368 1/20 0.71
▸ PRKCD Q05655 1/20 0.71
▸ MAP3K1 Q13233 1/20 0.71
▸ ROCK1 Q13464 1/20 0.71
▸ TNK1 Q13470 1/20 0.71

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
SCHEMBL100359 0.98 JAK2 (0.83) JAK2JAK1JAK3CITGAK
SCHEMBL99411 0.97 JAK2 (0.82) JAK2JAK1JAK3CITGAK
SCHEMBL29541207 0.96 JAK2 (0.83) JAK2JAK1JAK3CITGAK
SCHEMBL100609 0.96 JAK2 (0.83) JAK2JAK1JAK3CITGAK
SCHEMBL102406 0.92 JAK2 (0.77) JAK2JAK1JAK3CITGAK
Trifluoroacetic Acid SCHEMBL870764 0.91 JAK2 (0.70) JAK2JAK1JAK3CITGAK
SCHEMBL2606650 0.89 JAK1 (0.71) JAK2JAK1JAK3CITGAK
SCHEMBL2605490 0.89 JAK2 (0.74) JAK2JAK1JAK3CITGAK
SCHEMBL19832252 0.89 JAK2 (0.73) JAK2JAK1JAK3CITGAK
SCHEMBL19832251 0.89 JAK2 (1.00) JAK2JAK1JAK3CITGAK

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-03-29 — — US claimed
EP-2288610-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS Incyte Corporation (US) 2011-03-02 — — EP claimed
WO-2009114512-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 — — WO claimed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 — — US claimed
US-11091491-B2 Heterocyclic compounds as PI3K-y inhibitors INCYTE CORPORATION (US) 2021-08-17 — — US disclosed
WO-2021072116-A1 BIOMARKERS FOR GRAFT-VERSUS-HOST DISEASE INCYTE CORPORATION (US) 2021-04-15 — — WO disclosed
WO-2020256739-A1 METHODS OF TREATING MYELOPROLIFERATIVE DISORDERS CONSTELLATION PHARMACEUTICALS, INC. (US) 2020-12-24 — — WO disclosed
WO-2020257644-A1 METHODS OF TREATING MYELOPROLIFERATIVE DISORDERS CONSTELLATION PHARMACEUTICALS, INC. (US) 2020-12-24 — — WO disclosed
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2020-03-26 — — US disclosed
US-20200031837-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2020-01-30 — — US disclosed
US-9714233-B2 Processes and intermediates for making a JAK inhibitor INCYTE CORPORATION (US) 2017-07-25 — — US disclosed
WO-2017079519-A1 HETEROCYCLIC COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-05-11 — — WO disclosed
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-03-29 — — US disclosed
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-03-29 — — US disclosed
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-03-29 — — US disclosed
EP-2349260-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES Incyte Corporation (US) 2011-08-03 — — EP disclosed
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2010-05-06 — — US disclosed
WO-2010039939-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2010-04-08 — — WO disclosed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 — — US disclosed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 — — 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 (6 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-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885JAK3 2/4885
US-11091491-B2 Heterocyclic compounds as PI3K-y inhibitors PIK3R5, PIK3CA, PIK3CD JAK2 40/4885JAK1 45/4885JAK3 83/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885JAK3 2/4885
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 3/4885
US-20200031837-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD JAK2 40/4885JAK1 45/4885JAK3 83/4885
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 3/4885

“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.