SCHEMBL17209928

SCHEMBL17209928

C=CC(=O)Nc1cccc(CN2CCc3cnc(Nc4cnn(C)c4)nc32)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 18/20 0.66
▸ JAK2 O60674 4/20 0.64
▸ JAK1 P23458 4/20 0.64
▸ TTK P33981 2/20 0.64
▸ BTK Q06187 2/20 0.52
▸ TYK2 P29597 2/20 0.52
▸ EGFR P00533 1/20 0.52

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
SCHEMBL18506716 0.88 JAK3 (0.52) JAK3JAK2JAK1TTKBTK
SCHEMBL28887510 0.86 JAK3 (0.58) JAK3JAK2JAK1TTKBTK
SCHEMBL17209791 0.84 JAK3 (0.76) JAK3JAK2JAK1TTKEGFR
SCHEMBL14812608 0.81 JAK3 (0.78) JAK3JAK2JAK1TTKBTK
SCHEMBL23152743 0.81 EGFR (0.70) JAK3JAK2JAK1TTKEGFR
SCHEMBL14812381 0.81 JAK3 (0.77) JAK3JAK2JAK1TTKBTK
SCHEMBL17209782 0.78 JAK3 (1.00) JAK3JAK2JAK1TTKTYK2
SCHEMBL28887608 0.78 JAK3 (0.59) JAK3JAK2JAK1TTKBTK
SCHEMBL23152840 0.78 EGFR (0.63) JAK3JAK2JAK1TTKEGFR
SCHEMBL17209783 0.77 JAK3 (1.00) JAK3JAK2JAK1TTKTYK2

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-10017477-B2 Janus kinase inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-10 — — US disclosed
US-20170044111-A1 JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-16 — — US disclosed
WO-2015164614-A1 JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-10-29 — — 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-20170044111-A1 JANUS KINASE INHIBITORS AND USES THEREOF JAK3, JAK1, JAK2 JAK3 1/4885JAK2 3/4885JAK1 2/4885
US-10017477-B2 Janus kinase inhibitors and uses thereof JAK3, JAK1, JAK2 JAK3 1/4885JAK2 3/4885JAK1 2/4885

“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.

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