SCHEMBL872630

SCHEMBL872630

N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C(=O)c2cc3ccccc3[nH]2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.64
JAK2 O60674 18/20 0.64
JAK3 P52333 4/20 0.62
CIT O14578 1/20 0.62
GAK O14976 1/20 0.62
ROCK2 O75116 1/20 0.62
ULK1 O75385 1/20 0.62
PRKCB P05771 1/20 0.62
RET P07949 1/20 0.62
PRKCA P17252 1/20 0.62
PRKACA P17612 1/20 0.62
MARK3 P27448 1/20 0.62
TYK2 P29597 1/20 0.62
STAT3 P40763 1/20 0.62
CLK1 P49759 1/20 0.62
CSNK1G2 P78368 1/20 0.62
PRKCD Q05655 1/20 0.62
MAP3K1 Q13233 1/20 0.62
ROCK1 Q13464 1/20 0.62
TNK1 Q13470 1/20 0.62

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
Trifluoroacetic Acid SCHEMBL871043 0.95 JAK2 (0.60) JAK1JAK2JAK3
SCHEMBL872249 0.87 JAK2 (0.67) JAK1JAK2JAK3CITGAK
SCHEMBL872208 0.87 JAK2 (0.81) JAK1JAK2JAK3CITGAK
SCHEMBL15389165 0.84 JAK2 (0.73) JAK1JAK2JAK3CITGAK
SCHEMBL872644 0.83 JAK2 (0.84) JAK1JAK2
SCHEMBL872601 0.83 JAK2 (0.82) JAK1JAK2JAK3CITGAK
SCHEMBL872135 0.83 JAK2 (0.69) JAK1JAK2JAK3CITGAK
SCHEMBL871185 0.83 JAK2 (0.71) JAK1JAK2JAK3CITGAK
Trifluoroacetic Acid SCHEMBL871238 0.83 JAK2 (0.75) JAK1JAK2JAK3
SCHEMBL871777 0.83 JAK2 (0.69) JAK1JAK2JAK3CITGAK

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 10 patents. 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-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2020-03-26 US disclosed
US-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2017-03-30 US disclosed
EP-3042655-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES Incyte Holdings Corporation (US) 2016-07-13 EP disclosed
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2012-11-29 US disclosed
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2010-05-06 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 (7 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-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 JAK1 1/4885JAK2 3/4885JAK3 2/4885
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 JAK1 1/4885JAK2 3/4885JAK3 2/4885
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 JAK1 4796/4885JAK2 4729/4885JAK3 4792/4885
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 JAK1 1/4885JAK2 3/4885JAK3 2/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 JAK1 1/4885JAK2 3/4885JAK3 2/4885
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK1 1/4885JAK2 2/4885JAK3 3/4885
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK1 1/4885JAK2 2/4885JAK3 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.