SCHEMBL12522895

SCHEMBL12522895

N[C@H]1CC[C@H](Nc2nccn3c(-c4ccnc(NCc5ccccc5Cl)n4)cnc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 16/20 0.63
▸ MAPK8 P45983 2/20 0.45
▸ ACHE P22303 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL12272016 1.00 FLT3 (0.63) FLT3MAPK8ACHEBACE1MAPK9
SCHEMBL12272721 0.90 FLT3 (0.78) FLT3MAPK8ADORA3
SCHEMBL12522794 0.90 FLT3 (0.78) FLT3MAPK8ADORA3
SCHEMBL12522785 0.88 FLT3 (0.80) FLT3MAPK8MAPK9
SCHEMBL12272384 0.88 FLT3 (0.80) FLT3MAPK8MAPK9
SCHEMBL12490674 0.85 FLT3 (0.59) FLT3MAPK8MAPK9
SCHEMBL12522894 0.85 FLT3 (0.83) FLT3MAPK8ACHEBACE1MAPK9
SCHEMBL12273002 0.85 FLT3 (0.83) FLT3MAPK8ACHEBACE1MAPK9
SCHEMBL12272742 0.85 FLT3 (0.55) FLT3MAPK8MAPK9
SCHEMBL12522945 0.85 FLT3 (0.55) FLT3MAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 3036/4885ACHE 3622/4885

“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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