SCHEMBL4438374

SCHEMBL4438374

CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccncc2NC(=O)c2cccc(Br)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ PIM2 Q9P1W9 13/20 0.45
▸ PIM3 Q86V86 12/20 0.45
▸ PIM1 P11309 11/20 0.45
▸ MAP4K4 O95819 2/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ KIF18A Q8NI77 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
SCHEMBL4438377 1.00 BTK (0.46) BTKJAK3PIM2PIM3PIM1
SCHEMBL11907982 0.88 PIM2 (0.48) BTKJAK3PIM2PIM3PIM1
SCHEMBL11907983 0.88 PIM2 (0.48) BTKJAK3PIM2PIM3PIM1
SCHEMBL2693944 0.87 PIM3 (0.54) BTKJAK3PIM2PIM3PIM1
SCHEMBL2693948 0.87 PIM3 (0.54) BTKJAK3PIM2PIM3PIM1
SCHEMBL4555708 0.86 PIM2 (0.55) BTKPIM2PIM3PIM1MAP4K4
SCHEMBL4442443 0.86 PIM2 (0.45) BTKJAK3PIM2PIM3PIM1
SCHEMBL11907439 0.86 PIM2 (0.55) BTKPIM2PIM3PIM1MAP4K4
SCHEMBL4442444 0.86 PIM2 (0.45) BTKJAK3PIM2PIM3PIM1
SCHEMBL17417610 0.85 PIM2 (0.59) BTKJAK3PIM2PIM3PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 — — US disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 — — US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 — — US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 — — US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 — — EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 — — US disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 — — EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 — — 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 BTK 16/4885JAK3 165/4885PIM2 2/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 BTK 16/4885JAK3 165/4885PIM2 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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