SCHEMBL1693514

SCHEMBL1693514

C[C@H](c1ccccn1)n1c(=O)[nH]c2cnc(-c3cnc4ccc(F)cn34)nc21

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.81
JAK3 P52333 12/20 0.81
JAK1 P23458 11/20 0.81
USP1 O94782 8/20 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
SCHEMBL1693517 1.00 JAK2 (0.81) JAK2JAK3JAK1USP1
SCHEMBL1693266 0.90 JAK2 (1.00) JAK2JAK3JAK1USP1
SCHEMBL1693463 0.90 JAK2 (1.00) JAK2JAK3JAK1USP1
SCHEMBL1693268 0.90 JAK2 (1.00) JAK2JAK3JAK1USP1
SCHEMBL16496722 0.89 JAK2 (1.00) JAK2JAK3JAK1USP1
SCHEMBL1693475 0.89 JAK2 (1.00) JAK2JAK3JAK1USP1
SCHEMBL1693150 0.89 JAK2 (1.00) JAK2JAK3JAK1USP1
SCHEMBL1693853 0.86 JAK2 (1.00) JAK2JAK3JAK1USP1
SCHEMBL1693851 0.86 JAK2 (1.00) JAK2JAK3JAK1USP1
SCHEMBL1693488 0.85 JAK2 (0.77) JAK2JAK3JAK1USP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582703-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2013-04-24 EP claimed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US claimed
WO-2011157397-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-12-22 WO claimed
EP-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 EP claimed
US-20140309424-A1 DIRECT SYNTHESIS OF 18F-FLUOROMETHOXY COMPOUNDS FOR PET IMAGING AND THE PROVISION OF NEW PRECURSORS FOR DIRECT RADIOSYNTHESIS OF PROTECTED DERIVATIVES OF O-([18F] FLUOROMETHYL) TYROSINE PIRAMAL IMAGING SA (CH) 2014-10-16 US disclosed
EP-2582703-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2013-04-24 EP disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US disclosed
WO-2011157397-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-12-22 WO disclosed
WO-2011157397-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-12-22 WO disclosed
EP-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 EP disclosed
EP-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 EP 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-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885
US-20140309424-A1 DIRECT SYNTHESIS OF 18F-FLUOROMETHOXY COMPOUNDS FOR PET IMAGING AND THE PROVISION OF NEW PRECURSORS FOR DIRECT RADIOSYNTHESIS OF PROTECTED DERIVATIVES OF O-([18F] FLUOROMETHYL) TYROSINE TH, TYR, FTO JAK2 261/4885JAK3 365/4885JAK1 348/4885

“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.