SCHEMBL12522785

SCHEMBL12522785

N[C@H]1CC[C@H](Nc2nccn3c(-c4ccnc(NCc5ccccc5)n4)cnc23)CC1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 16/20 0.80
▸ MAPK8 P45983 3/20 0.52
▸ MAPK9 P45984 2/20 0.52
▸ TTK P33981 1/20 0.51
▸ CCNB2 O95067 1/20 0.47
▸ CCNE2 O96020 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ CCNE1 P24864 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CCNB3 Q8WWL7 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
SCHEMBL12272384 1.00 FLT3 (0.80) FLT3MAPK8MAPK9TTKCCNB2
SCHEMBL12522894 0.90 FLT3 (0.83) FLT3MAPK8MAPK9CCNE2CCNE1
SCHEMBL12273002 0.90 FLT3 (0.83) FLT3MAPK8MAPK9CCNE2CCNE1
SCHEMBL12522705 0.89 FLT3 (1.00) FLT3MAPK8TTK
SCHEMBL12272449 0.89 FLT3 (1.00) FLT3MAPK8TTK
SCHEMBL12272016 0.88 FLT3 (0.63) FLT3MAPK8MAPK9
SCHEMBL12522895 0.88 FLT3 (0.63) FLT3MAPK8MAPK9
SCHEMBL12490674 0.85 FLT3 (0.59) FLT3MAPK8MAPK9CDK1CCNE1
SCHEMBL12522707 0.84 FLT3 (0.71) FLT3MAPK8MAPK9
SCHEMBL12272584 0.84 FLT3 (0.71) 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 3036/4885MAPK9 3583/4885

“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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