SCHEMBL12876122

SCHEMBL12876122

CCOC(=O)/C(N)=N/OC(=O)c1cnc2[nH]ccc2c1Cl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.47
JAK3 P52333 17/20 0.43
JAK1 P23458 15/20 0.43
AXL P30530 1/20 0.43
PRKCI P41743 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL12887787 1.00 NUDT1 (0.47) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL566667 0.84 NUDT1 (0.65) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL29477133 0.84 NUDT1 (0.65) NUDT1JAK3JAK1AXLPRKCI
Hydrochloric Acid SCHEMBL29234028 0.83 NUDT1 (0.64) NUDT1JAK3JAK1AXLPRKCI
Hydrochloric Acid SCHEMBL29477135 0.83 NUDT1 (0.64) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL12904705 0.81 NUDT1 (0.45) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL20956287 0.77 NUDT1 (0.52) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL30985188 0.76 AXL (0.55) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL2115690 0.76 AXL (0.55) NUDT1JAK3JAK1AXLPRKCI
SCHEMBL12888658 0.75 JAK1 (0.67) JAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2011-02-17 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 (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-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK1, JAK2 NUDT1 3293/4885JAK3 1/4885JAK1 2/4885

“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.