SCHEMBL2105053

SCHEMBL2105053

Fc1cnc2[nH]ccc2c1NC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.60
JAK2 O60674 12/20 0.60
HPGDS O60760 1/20 0.54
JAK3 P52333 9/20 0.46
AURKA O14965 2/20 0.44
PRKCA P17252 2/20 0.44
KDR P35968 2/20 0.44
KMT2A Q03164 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
SCHEMBL15203406 0.86 JAK1 (0.60) JAK1JAK2HPGDSJAK3AURKA
SCHEMBL10125409 0.86 JAK1 (0.60) JAK1JAK2HPGDSJAK3AURKA
SCHEMBL1717444 0.86 JAK1 (0.60) JAK1JAK2HPGDSJAK3AURKA
SCHEMBL1718163 0.84 JAK1 (0.60) JAK1JAK2HPGDSJAK3
SCHEMBL1934804 0.83 JAK2 (0.60) JAK1JAK2HPGDSJAK3AURKA
SCHEMBL30173275 0.82 JAK1 (0.69) JAK1JAK2HPGDS
SCHEMBL28608389 0.82 JAK1 (0.69) JAK1JAK2HPGDS
SCHEMBL30173286 0.82 JAK1 (0.59) JAK1JAK2HPGDSJAK3AURKA
SCHEMBL28608390 0.82 JAK1 (0.59) JAK1JAK2HPGDSJAK3AURKA
SCHEMBL28602167 0.81 JAK1 (0.65) JAK1JAK2HPGDSJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
CN-102127078-A Heterocyclic janus kinase 3 inhibitors ASTELLAS PHARMA INC 2011-07-20 CN disclosed
EP-2251341-A1 Heterocyclic Janus kinase 3 inhibitors Astellas Pharma Inc. (JP) 2010-11-17 EP disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 US disclosed
CN-101223168-A Heterocyclic JANUS kinase 3 inhibitors ASTELLAS PHARMA INC (JP) 2008-07-16 CN 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-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK2, JAK1 JAK1 3/4885JAK2 2/4885HPGDS 1485/4885

“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.