SCHEMBL2055158

SCHEMBL2055158

C[C@@H]1CCCC[C@@H]1n1c(=O)n(Cc2nnc(-c3cccs3)o2)c2cnc3[nH]ccc3c21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 16/20 0.46
JAK2 O60674 15/20 0.46
JAK3 P52333 13/20 0.46
POLB P06746 1/20 0.39
TYK2 P29597 2/20 0.37
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AURKA O14965 1/20 0.35
PRKCA P17252 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL2055151 0.88 JAK1 (0.48) JAK1JAK2JAK3TYK2TSHR
SCHEMBL2055157 0.86 JAK1 (0.45) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2055169 0.86 JAK1 (0.52) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2055152 0.79 JAK1 (0.49) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2055167 0.79 JAK1 (0.49) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2104864 0.79 JAK1 (0.56) JAK1JAK2JAK3TYK2
SCHEMBL2105247 0.78 JAK1 (0.57) JAK1JAK2JAK3TYK2
SCHEMBL2055171 0.78 JAK1 (0.47) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2055086 0.78 JAK1 (0.50) JAK1JAK2JAK3TYK2
SCHEMBL2101922 0.77 JAK3 (0.62) 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.