SCHEMBL18506716

SCHEMBL18506716

C=CC(=O)Nc1cccc(CN2CCc3cnc(Nc4ccn(C)n4)nc32)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 17/20 0.52
▸ JAK1 P23458 3/20 0.49
▸ JAK2 O60674 2/20 0.49
▸ TTK P33981 1/20 0.49
▸ EGFR P00533 4/20 0.48
▸ BTK Q06187 2/20 0.48
▸ TYK2 P29597 1/20 0.48

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
SCHEMBL17209928 0.88 JAK3 (0.66) JAK3JAK1JAK2TTKEGFR
SCHEMBL14812725 0.76 JAK3 (0.51) JAK3JAK1JAK2TTKEGFR
SCHEMBL24687827 0.75 EGFR (0.65) JAK3EGFR
SCHEMBL28887510 0.74 JAK3 (0.58) JAK3JAK1JAK2TTKEGFR
SCHEMBL24687685 0.74 EGFR (0.63) EGFR
SCHEMBL15807807 0.73 EGFR (0.67) EGFR
SCHEMBL17209791 0.72 JAK3 (0.76) JAK3JAK1JAK2TTKEGFR
SCHEMBL24687690 0.72 EGFR (0.62) JAK3EGFRBTK
SCHEMBL23152904 0.71 EGFR (0.57) JAK3EGFR
SCHEMBL24688026 0.71 EGFR (0.64) JAK3EGFR

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-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

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 1/4885JAK1 2/4885JAK2 3/4885
US-10017477-B2 Janus kinase inhibitors and uses thereof JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885JAK2 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.

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