SCHEMBL2001368

SCHEMBL2001368

Fc1ccc2ncc(-c3nccc(N(CC4CC4)[C@@H]4CCCNC4)n3)n2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.38
▸ JAK1 P23458 5/20 0.38
▸ JAK3 P52333 5/20 0.38
▸ EIF2AK4 Q9P2K8 14/20 0.37
▸ LCK P06239 1/20 0.35
▸ RET P07949 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ BLK P51451 1/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ CCNH P51946 1/20 0.35
▸ SRPK1 Q96SB4 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL1997366 0.90 ADORA2A (0.39) JAK2JAK1JAK3EIF2AK4
SCHEMBL2054144 0.90 ADORA2A (0.39) JAK2JAK1JAK3EIF2AK4
SCHEMBL1995796 0.85 FLT3 (0.44) JAK2JAK1JAK3EIF2AK4LCK
SCHEMBL1995794 0.85 FLT3 (0.44) JAK2JAK1JAK3EIF2AK4LCK
SCHEMBL2032642 0.81 EIF2AK4 (0.46) JAK2JAK1JAK3EIF2AK4
SCHEMBL2001449 0.78 EIF2AK4 (0.45) EIF2AK4
SCHEMBL1996338 0.77 EIF2AK4 (0.42) JAK2JAK1JAK3EIF2AK4FLT3
SCHEMBL1996002 0.77 EIF2AK4 (0.47) EIF2AK4
SCHEMBL1992661 0.74 IRAK4 (0.58) LCKRETPDGFRBFLT3CDK7
SCHEMBL1992660 0.74 IRAK4 (0.58) LCKRETPDGFRBFLT3CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 — — US disclosed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 — — US disclosed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 — — US disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 — — WO disclosed
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 — — EP disclosed
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 — — 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-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 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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