SCHEMBL3374832

SCHEMBL3374832

O=C(c1cccnc1)N1CC(n2cc(-c3ncnc4[nH]ccc34)cn2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.53
JAK1 P23458 14/20 0.53
HDAC6 Q9UBN7 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL3375100 0.91 JAK2 (0.57) JAK2JAK1HDAC6
SCHEMBL3376937 0.86 JAK2 (0.50) JAK2JAK1
SCHEMBL3374890 0.85 JAK2 (0.49) JAK2JAK1HDAC6
SCHEMBL3374827 0.83 JAK2 (0.47) JAK2JAK1HDAC6
SCHEMBL3373926 0.82 JAK2 (0.44) JAK2JAK1HDAC6CHRNB2CHRNB4
SCHEMBL3374032 0.82 JAK2 (0.53) JAK2JAK1HDAC6
SCHEMBL3373671 0.81 JAK2 (0.45) JAK2JAK1HDAC6
SCHEMBL14563475 0.81 JAK2 (0.67) JAK2JAK1
SCHEMBL3434304 0.80 JAK2 (0.49) JAK2JAK1HDAC6
SCHEMBL4125309 0.80 JAK1 (0.49) JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO disclosed
US-20130225556-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2013-08-29 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130225556-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885HDAC6 1687/4885
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885HDAC6 1687/4885

“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.