SCHEMBL17770583

SCHEMBL17770583

Nc1ncnc2c1c(Br)nn2[C@@H]1CCCN(C(=O)O)C1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.77
▸ JAK3 P52333 6/20 0.77
▸ JAK1 P23458 4/20 0.77
▸ EGFR P00533 11/20 0.59
▸ MAP2K7 O14733 1/20 0.56
▸ ITK Q08881 1/20 0.55
▸ BTK Q06187 2/20 0.53
▸ BLK P51451 1/20 0.53

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
SCHEMBL19550929 0.87 JAK2 (1.00) JAK2JAK3JAK1EGFRMAP2K7
SCHEMBL13860290 0.87 EGFR (0.77) JAK2JAK3JAK1EGFRMAP2K7
SCHEMBL27586636 0.87 EGFR (0.77) JAK2JAK3JAK1EGFRMAP2K7
SCHEMBL4827998 0.87 EGFR (0.77) JAK2JAK3JAK1EGFRMAP2K7
SCHEMBL19724243 0.86 JAK2 (0.76) JAK2JAK3JAK1EGFRMAP2K7
SCHEMBL20875026 0.86 JAK2 (0.76) JAK2JAK3JAK1EGFRITK
SCHEMBL19724281 0.86 JAK2 (0.75) JAK2JAK3JAK1EGFRBTK
SCHEMBL19871054 0.86 JAK2 (0.75) JAK2JAK3JAK1EGFRMAP2K7
SCHEMBL19724283 0.86 JAK2 (0.75) JAK2JAK3JAK1EGFRBTK
SCHEMBL14630545 0.85 JAK2 (0.68) JAK2JAK3JAK1EGFRMAP2K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196397-B2 Process for the preparation of ibrutinib SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2019-02-05 — — US disclosed
US-20170320879-A1 A PROCESS FOR THE PREPARATION OF IBRUTINIB SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-11-09 — — US disclosed
EP-3221320-A1 A PROCESS FOR THE PREPARATION OF IBRUTINIB Sun Pharmaceutical Industries Ltd (IN) 2017-09-27 — — EP disclosed
WO-2016079693-A1 A PROCESS FOR THE PREPARATION OF IBRUTINIB SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2016-05-26 — — 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-20170320879-A1 A PROCESS FOR THE PREPARATION OF IBRUTINIB BTK, SYK, IGLV6-57 JAK2 12/4885JAK3 25/4885JAK1 15/4885
US-10196397-B2 Process for the preparation of ibrutinib BTK, IGLV6-57, SYK JAK2 11/4885JAK3 26/4885JAK1 16/4885

“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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