SCHEMBL12522788

SCHEMBL12522788

CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2nccn3c(-c4cccc(NCc5ccccc5)n4)cnc23)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 9/20 0.72
▸ TTK P33981 7/20 0.53
▸ CCNT1 O60563 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42

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
SCHEMBL12272664 1.00 FLT3 (0.72) FLT3TTKCCNT1ACHECKS1B
SCHEMBL12527196 0.93 FLT3 (0.74) FLT3TTKCCNT1
SCHEMBL12272704 0.93 FLT3 (0.74) FLT3TTKCCNT1
SCHEMBL12272302 0.92 FLT3 (0.74) FLT3TTKCCNT1ACHE
SCHEMBL12527183 0.92 FLT3 (0.74) FLT3TTKCCNT1ACHE
SCHEMBL12522786 0.92 FLT3 (0.60) FLT3TTKMAPK8MAPK9
SCHEMBL12272928 0.92 FLT3 (0.60) FLT3TTKMAPK8MAPK9
SCHEMBL12522706 0.90 FLT3 (0.59) FLT3TTKCCNT1
SCHEMBL12272199 0.90 FLT3 (0.59) FLT3TTKCCNT1
SCHEMBL12272885 0.89 FLT3 (0.58) FLT3TTKCCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673905-B2 Imidazo pyrazines HOFFMANN-LA ROCHE INC. (US) 2014-03-18 — — US 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

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 5/4885TTK 2825/4885CCNT1 4130/4885

“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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