SCHEMBL12273231

SCHEMBL12273231

NCCC(Nc1cccc(-c2cnc3c(NC4CCC(N)CC4)nccn23)n1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 15/20 1.00
▸ MAPK8 P45983 3/20 0.44
▸ MAST3 O60307 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL12522795 1.00 FLT3 (1.00) FLT3MAPK8MAST3ADORA3IRAK4
SCHEMBL12272173 0.93 FLT3 (0.88) FLT3MAPK8MAST3ADORA3IRAK4
SCHEMBL12522910 0.93 FLT3 (0.88) FLT3MAPK8MAST3ADORA3IRAK4
SCHEMBL12522792 0.90 FLT3 (0.82) FLT3MAPK8
SCHEMBL12272241 0.90 FLT3 (0.82) FLT3MAPK8
SCHEMBL12522707 0.83 FLT3 (0.71) FLT3MAPK8
SCHEMBL12272584 0.83 FLT3 (0.71) FLT3MAPK8
SCHEMBL12272449 0.81 FLT3 (1.00) FLT3MAPK8
SCHEMBL12522705 0.81 FLT3 (1.00) FLT3MAPK8
SCHEMBL12525554 0.78 FLT3 (0.63) FLT3MAPK8MAST3

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 10 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
US-20120238564-A1 IMIDAZO PYRAZINES LUK KIN-CHUN (US) 2012-09-20 — — US claimed
WO-2012123470-A1 IMIDAZO PYRAZINES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO claimed
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
EP-2686319-A1 IMIDAZO PYRAZINES F.HOFFMANN-LA ROCHE AG (CH) 2014-01-22 — — EP 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 5/4885MAPK8 3036/4885MAST3 1106/4885

“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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