SCHEMBL12522907

SCHEMBL12522907

N[C@H]1CC[C@H](Nc2nccn3c(-c4cccc(NCc5ccsc5)n4)cnc23)CC1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 9/20 0.80
▸ CCNT1 O60563 9/20 0.45
▸ ADORA3 P0DMS8 1/20 0.44
▸ MAPK8 P45983 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
SCHEMBL12272624 1.00 FLT3 (0.80) FLT3CCNT1ADORA3MAPK8
SCHEMBL12522705 0.89 FLT3 (1.00) FLT3CCNT1MAPK8
SCHEMBL12272449 0.89 FLT3 (1.00) FLT3CCNT1MAPK8
SCHEMBL12273292 0.86 FLT3 (1.00) FLT3CCNT1
SCHEMBL12522909 0.86 FLT3 (1.00) FLT3CCNT1
SCHEMBL12272271 0.86 FLT3 (1.00) FLT3CCNT1ADORA3MAPK8
SCHEMBL12522797 0.86 FLT3 (1.00) FLT3CCNT1ADORA3MAPK8
SCHEMBL12272199 0.85 FLT3 (0.59) FLT3CCNT1ADORA3
SCHEMBL12522706 0.85 FLT3 (0.59) FLT3CCNT1ADORA3
SCHEMBL12271976 0.85 FLT3 (1.00) FLT3CCNT1

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
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

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 5/4885CCNT1 4130/4885ADORA3 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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