SCHEMBL2055153

SCHEMBL2055153

C[C@@H]1CCCC[C@@H]1n1c(=O)n(Cc2csc(-c3ccccc3)n2)c2cnc3[nH]ccc3c21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.48
JAK2 O60674 11/20 0.48
JAK3 P52333 9/20 0.48
KLKB1 P03952 2/20 0.41
KLK1 P06870 1/20 0.41
TYK2 P29597 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HCRTR1 O43613 4/20 0.38
HCRTR2 O43614 4/20 0.38
CCR5 P51681 1/20 0.37

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
SCHEMBL2055128 0.92 JAK1 (0.47) JAK1JAK2JAK3TYK2
SCHEMBL2055139 0.92 JAK1 (0.47) JAK1JAK2JAK3KLKB1KLK1
SCHEMBL14628888 0.92 JAK1 (0.47) JAK1JAK2JAK3KLKB1KLK1
SCHEMBL2055131 0.91 JAK3 (0.44) JAK1JAK2JAK3KLKB1KLK1
SCHEMBL14628842 0.91 JAK3 (0.44) JAK1JAK2JAK3KLKB1KLK1
SCHEMBL2055148 0.90 JAK1 (0.45) JAK1JAK2JAK3TYK2
SCHEMBL2055137 0.88 JAK1 (0.51) JAK1JAK2JAK3TYK2
SCHEMBL2104864 0.86 JAK1 (0.56) JAK1JAK2JAK3TYK2
SCHEMBL2055129 0.85 JAK1 (0.48) JAK1JAK2JAK3TYK2HCRTR1
SCHEMBL2105392 0.84 JAK1 (0.53) JAK1JAK2JAK3TYK2

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
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 US disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 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-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK2, JAK1 JAK1 3/4885JAK2 2/4885JAK3 1/4885

“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.