SCHEMBL2054905

SCHEMBL2054905

COc1ccccc1Cn1c(=O)[nH]c2cnc3[nH]ccc3c21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.53
JAK3 P52333 14/20 0.53
JAK1 P23458 13/20 0.53
MTOR P42345 1/20 0.49
BRD4 O60885 2/20 0.47
MEN1 O00255 1/20 0.46
PRNP P04156 1/20 0.46
KMT2A Q03164 1/20 0.46
TYK2 P29597 2/20 0.45
ENPP1 P22413 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44

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
SCHEMBL2054891 0.87 JAK2 (0.50) JAK2JAK3JAK1TYK2ENPP1
SCHEMBL2106309 0.87 BRD4 (0.53) JAK2JAK3JAK1BRD4
SCHEMBL2054903 0.84 JAK2 (0.55) JAK2JAK3JAK1MEN1KMT2A
SCHEMBL14628869 0.84 JAK2 (0.55) JAK2JAK3JAK1TYK2
SCHEMBL2054902 0.84 JAK2 (0.55) JAK2JAK3JAK1MEN1KMT2A
SCHEMBL2054927 0.83 JAK2 (0.53) JAK2JAK3JAK1TYK2
SCHEMBL2054922 0.83 JAK2 (0.53) JAK2JAK3JAK1TYK2
SCHEMBL2054863 0.83 JAK2 (0.54) JAK2JAK3JAK1TYK2
SCHEMBL2054916 0.82 JAK2 (0.52) JAK2JAK3JAK1BRD4TYK2
SCHEMBL2054899 0.82 JAK2 (0.61) JAK2JAK3JAK1BRD4TYK2

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 JAK2 2/4885JAK3 1/4885JAK1 3/4885

“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.