SCHEMBL22648745

SCHEMBL22648745

CCOC(=O)Cn1cc(Nc2ncc3ccn(CCC4CCCCC4)c3n2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 1.00
▸ JAK1 P23458 18/20 0.87
▸ TYK2 P29597 8/20 0.80
▸ JAK3 P52333 5/20 0.74
▸ HDAC6 Q9UBN7 1/20 0.61

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
SCHEMBL22648730 0.93 JAK1 (1.00) JAK2JAK1TYK2JAK3HDAC6
SCHEMBL22648790 0.93 JAK1 (1.00) JAK2JAK1TYK2JAK3HDAC6
SCHEMBL22648744 0.92 JAK1 (0.98) JAK2JAK1TYK2JAK3HDAC6
SCHEMBL22648713 0.91 JAK1 (0.95) JAK2JAK1TYK2JAK3HDAC6
SCHEMBL22648892 0.89 JAK1 (1.00) JAK2JAK1TYK2JAK3HDAC6
SCHEMBL22696571 0.86 JAK1 (0.82) JAK2JAK1TYK2JAK3
SCHEMBL22648782 0.86 JAK1 (0.81) JAK2JAK1TYK2JAK3HDAC6
SCHEMBL22648758 0.86 JAK1 (1.00) JAK2JAK1TYK2JAK3HDAC6
SCHEMBL22648774 0.86 JAK1 (1.00) JAK2JAK1TYK2JAK3HDAC6
SCHEMBL22648787 0.86 JAK1 (0.93) JAK2JAK1TYK2JAK3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136329-B2 JAK inhibitors VIMALAN BIOSCIENCES, INC. (US) 2021-10-05 — — US disclosed
US-11136329-B2 JAK inhibitors VIMALAN BIOSCIENCES, INC. (US) 2021-10-05 — — US disclosed
US-20200369669-A1 JAK INHIBITORS VIMALAN BIOSCIENCES, INC. 2020-11-26 — — US disclosed
US-20200369669-A1 JAK INHIBITORS VIMALAN BIOSCIENCES, INC. 2020-11-26 — — US disclosed
WO-2020227563-A1 JAK INHIBITORS VIMALAN BIOSCIENCES, INC. (US) 2020-11-12 — — WO 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-20200369669-A1 JAK INHIBITORS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 8/4885
US-11136329-B2 JAK inhibitors JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885TYK2 6/4885

“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.

Send feedback