SCHEMBL1694067

SCHEMBL1694067

Nc1cnc(Cl)nc1N[C@@H]1CCCN(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.44
KMT2A Q03164 1/20 0.42
EGFR P00533 2/20 0.42
ITK Q08881 1/20 0.42
JAK1 P23458 2/20 0.41
JAK2 O60674 2/20 0.40
BTK Q06187 5/20 0.39
MAPK3 P27361 1/20 0.39

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
SCHEMBL3190443 0.93 KMT2A (0.39) JAK3KMT2AJAK2BTK
SCHEMBL20774201 0.86 KMT2A (0.61) JAK3KMT2AEGFRITKBTK
SCHEMBL3433250 0.86 KMT2A (0.61) JAK3KMT2AEGFRITKBTK
SCHEMBL14674931 0.86 JAK3 (0.56) JAK3KMT2AEGFRITKJAK2
SCHEMBL14675141 0.86 KMT2A (0.61) JAK3KMT2AEGFRITKBTK
SCHEMBL1783130 0.85 KMT2A (0.43) KMT2AEGFRBTK
SCHEMBL12067315 0.84 BTK (0.44) JAK3BTK
SCHEMBL17797630 0.83 MAPK3 (0.53) JAK3KMT2AEGFRITKBTK
SCHEMBL14841407 0.82 PIN1 (0.45) JAK3KMT2AEGFRITKJAK1
SCHEMBL17388653 0.82 PIN1 (0.45) JAK3KMT2AEGFRITKJAK1

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
EP-2582703-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2013-04-24 EP disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US disclosed
WO-2011157397-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-12-22 WO disclosed
EP-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 EP 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-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 JAK3 3/4885KMT2A 1187/4885EGFR 286/4885

“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.