SCHEMBL12068706

SCHEMBL12068706

O=c1[nH]c2cnc(-c3cnc4ccc(F)cn34)nc2n1[C@@H]1CCCNC1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 16/20 0.73
▸ JAK3 P52333 16/20 0.73
▸ JAK1 P23458 12/20 0.73
▸ ADORA2A P29274 1/20 0.37
▸ IRAK4 Q9NWZ3 3/20 0.36
▸ LCK P06239 1/20 0.36
▸ RET P07949 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ BLK P51451 1/20 0.36
▸ IRAK1 P51617 1/20 0.36
▸ CCNH P51946 1/20 0.36
▸ SRPK1 Q96SB4 1/20 0.36

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
SCHEMBL1694572 1.00 JAK2 (0.73) JAK2JAK3JAK1ADORA2AIRAK4
SCHEMBL1693758 0.91 JAK2 (0.84) JAK2JAK3JAK1ADORA2A
SCHEMBL1693019 0.90 JAK2 (0.82) JAK2JAK3JAK1ADORA2A
SCHEMBL1693649 0.85 JAK2 (0.81) JAK2JAK3JAK1ADORA2A
SCHEMBL14849917 0.84 JAK2 (1.00) JAK2JAK3JAK1ADORA2A
SCHEMBL1694324 0.84 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL1694495 0.84 JAK2 (1.00) JAK2JAK3JAK1ADORA2A
SCHEMBL1694331 0.84 JAK2 (0.83) JAK2JAK3JAK1ADORA2A
SCHEMBL12069370 0.84 JAK2 (0.83) JAK2JAK3JAK1
SCHEMBL1694328 0.84 JAK2 (0.83) JAK2JAK3JAK1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 — — EP claimed
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
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 (1 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

“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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