SCHEMBL20944680

SCHEMBL20944680

COc1cc2c(=O)n(C3CCCCC3)c3c(cnc4c3ccn4COCC[Si](C)(C)C)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.55
JAK1 P23458 10/20 0.55
TYK2 P29597 10/20 0.55
JAK3 P52333 10/20 0.55
BMP2K Q9NSY1 2/20 0.43
NUAK1 O60285 1/20 0.43
NTRK1 P04629 1/20 0.43
FLT3 P36888 1/20 0.43
NUAK2 Q9H093 1/20 0.43
MAP3K19 Q56UN5 1/20 0.41
TNF P01375 8/20 0.40
LITAF Q99732 8/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL20944715 1.00 JAK2 (0.55) JAK2JAK1TYK2JAK3BMP2K
SCHEMBL20944562 1.00 JAK2 (0.55) JAK2JAK1TYK2JAK3BMP2K
SCHEMBL20944688 0.92 JAK1 (0.56) JAK2JAK1TYK2JAK3BMP2K
SCHEMBL20944659 0.89 JAK2 (0.46) JAK2JAK1TYK2JAK3BMP2K
SCHEMBL20944713 0.88 JAK2 (0.51) JAK2JAK1TYK2JAK3BMP2K
SCHEMBL20944752 0.87 JAK2 (0.59) JAK2JAK1TYK2JAK3BMP2K
SCHEMBL20944619 0.86 JAK2 (0.45) JAK2JAK1TYK2JAK3BMP2K
SCHEMBL14697235 0.81 JAK1 (0.38) JAK2JAK1TYK2JAK3TNF
SCHEMBL20944775 0.80 JAK1 (0.47) JAK2JAK1TYK2JAK3BMP2K
SCHEMBL20944610 0.79 JAK1 (0.58) JAK2JAK1TYK2JAK3BMP2K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399979-B2 Janus kinase inhibitors and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-03 US disclosed
US-20190127377-A1 JANUS KINASE INHIBITORS AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2019-05-02 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 (2 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-20190127377-A1 JANUS KINASE INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 9/4885
US-10399979-B2 Janus kinase inhibitors and uses thereof JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 9/4885

“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.