SCHEMBL12271994

SCHEMBL12271994

c1ccc(CNc2nccc(-c3cnc4c(NCCN5CCOCC5)nccn34)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 15/20 1.00
▸ LMNA P02545 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ MKNK1 Q9BUB5 1/20 0.48
▸ CXCR4 P61073 1/20 0.47
▸ EIF2AK2 P19525 1/20 0.47

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
SCHEMBL12272668 0.90 FLT3 (1.00) FLT3ADORA3MKNK1CXCR4EIF2AK2
SCHEMBL12272948 0.88 FLT3 (1.00) FLT3LMNAADORA3MKNK1
SCHEMBL5408035 0.82 FLT3 (0.69) FLT3LMNAADORA3
SCHEMBL12271835 0.81 FLT3 (0.68) FLT3LMNAADORA3MKNK1
SCHEMBL12272218 0.81 FLT3 (0.68) FLT3ADORA3
SCHEMBL12273036 0.80 FLT3 (0.67) FLT3ADORA3MKNK1
SCHEMBL12272706 0.75 FLT3 (1.00) FLT3
SCHEMBL12272384 0.75 FLT3 (0.80) FLT3
SCHEMBL12522785 0.75 FLT3 (0.80) FLT3
SCHEMBL5408732 0.74 ADORA3 (0.59) FLT3LMNAADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686319-B1 IMIDAZO PYRAZINES HOFFMANN LA ROCHE (CH) 2016-07-13 — — EP claimed
US-8673905-B2 Imidazo pyrazines HOFFMANN-LA ROCHE INC. (US) 2014-03-18 — — US claimed
EP-2686319-A1 IMIDAZO PYRAZINES F.HOFFMANN-LA ROCHE AG (CH) 2014-01-22 — — EP claimed
WO-2012123470-A1 IMIDAZO PYRAZINES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO claimed
US-20120238564-A1 IMIDAZO PYRAZINES LUK KIN-CHUN (US) 2012-09-20 — — US claimed
EP-2686319-B1 IMIDAZO PYRAZINES HOFFMANN LA ROCHE (CH) 2016-07-13 — — EP disclosed
EP-2686319-B1 IMIDAZO PYRAZINES HOFFMANN LA ROCHE (CH) 2016-07-13 — — EP disclosed
US-8673905-B2 Imidazo pyrazines HOFFMANN-LA ROCHE INC. (US) 2014-03-18 — — US disclosed
US-8673905-B2 Imidazo pyrazines HOFFMANN-LA ROCHE INC. (US) 2014-03-18 — — US disclosed
EP-2686319-A1 IMIDAZO PYRAZINES F.HOFFMANN-LA ROCHE AG (CH) 2014-01-22 — — EP disclosed
WO-2012123470-A1 IMIDAZO PYRAZINES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO disclosed
US-20120238564-A1 IMIDAZO PYRAZINES LUK KIN-CHUN (US) 2012-09-20 — — US disclosed
US-20120238564-A1 IMIDAZO PYRAZINES LUK KIN-CHUN (US) 2012-09-20 — — US disclosed
WO-2012123470-A1 IMIDAZO PYRAZINES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — 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 (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-20120238564-A1 IMIDAZO PYRAZINES THPO, MCL1, IKZF3 FLT3 5/4885LMNA 2883/4885ADORA3 2926/4885

“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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