SCHEMBL138553

SCHEMBL138553

COc1ccc(-c2cc(C(=O)N[C@H]3CC[C@H](N)CC3)c3[nH]c4cc(C(N)=O)ccc4c3c2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.64
JAK1 P23458 1/20 0.58
TYK2 P29597 1/20 0.58
JAK3 P52333 1/20 0.58
TLR9 Q9NR96 3/20 0.48
TLR7 Q9NYK1 3/20 0.48
TLR8 Q9NR97 2/20 0.47
SMYD3 Q9H7B4 1/20 0.44
BTK Q06187 1/20 0.44
NAAA Q02083 1/20 0.43

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
SCHEMBL178729 0.93 JAK2 (0.72) JAK2JAK1TYK2JAK3TLR9
SCHEMBL140070 0.81 JAK2 (0.67) JAK2JAK1TYK2JAK3TLR7
SCHEMBL142152 0.79 JAK2 (1.00) JAK2JAK1TYK2JAK3BTK
SCHEMBL110965 0.78 JAK2 (0.60) JAK2JAK1TYK2JAK3
SCHEMBL145826 0.77 JAK2 (0.68) JAK2JAK1TYK2JAK3TLR9
SCHEMBL138552 0.77 JAK2 (0.52) JAK2JAK1TYK2JAK3TLR9
SCHEMBL140324 0.76 JAK2 (0.80) JAK2JAK1TYK2JAK3BTK
SCHEMBL110945 0.76 JAK2 (0.81) JAK2JAK1TYK2JAK3BTK
SCHEMBL178685 0.76 JAK2 (0.73) JAK2JAK1TYK2JAK3TLR7
SCHEMBL142070 0.75 JAK2 (0.75) JAK2JAK1TYK2JAK3BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
EP-2370407-B1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 5/4885

“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.