SCHEMBL20944752

SCHEMBL20944752

COc1cc2c(=O)n(CC3CCCCC3)c3c(cnc4c3ccn4COCC[Si](C)(C)C)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.59
JAK1 P23458 12/20 0.59
JAK3 P52333 12/20 0.59
TYK2 P29597 11/20 0.59
NUAK1 O60285 1/20 0.59
NTRK1 P04629 1/20 0.59
FLT3 P36888 1/20 0.59
NUAK2 Q9H093 1/20 0.59
BMP2K Q9NSY1 1/20 0.59
PDE5A O76074 2/20 0.36
PDE10A Q9Y233 1/20 0.35
MAP3K11 Q16584 1/20 0.35
PGR P06401 1/20 0.33
TNF P01375 1/20 0.33
LITAF Q99732 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL20944680 0.87 JAK2 (0.55) JAK2JAK1JAK3TYK2NUAK1
SCHEMBL20944715 0.87 JAK2 (0.55) JAK2JAK1JAK3TYK2NUAK1
SCHEMBL20944562 0.87 JAK2 (0.55) JAK2JAK1JAK3TYK2NUAK1
SCHEMBL20944775 0.83 JAK1 (0.47) JAK2JAK1JAK3TYK2NUAK1
SCHEMBL20944610 0.82 JAK1 (0.58) JAK2JAK1JAK3TYK2NUAK1
SCHEMBL20944688 0.81 JAK1 (0.56) JAK2JAK1JAK3TYK2NUAK1
SCHEMBL20944659 0.79 JAK2 (0.46) JAK2JAK1JAK3TYK2NUAK1
SCHEMBL20944632 0.77 JAK1 (0.49) JAK2JAK1JAK3TYK2PDE10A
SCHEMBL20944756 0.77 JAK1 (0.49) JAK2JAK1JAK3TYK2PDE10A
SCHEMBL20944629 0.77 JAK1 (0.49) JAK2JAK1JAK3TYK2PDE10A

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 2/4885JAK3 3/4885
US-10399979-B2 Janus kinase inhibitors and uses thereof JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885JAK3 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.