SCHEMBL12272706

SCHEMBL12272706

CN1CCN(c2nccn3c(-c4ccnc(NCc5ccccc5)n4)cnc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 17/20 1.00
▸ ACHE P22303 1/20 0.50
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ HRH2 P25021 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ HTR5A P47898 1/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.47
▸ HRH3 Q9Y5N1 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
SCHEMBL12272276 0.91 FLT3 (0.83) FLT3
SCHEMBL12272910 0.89 FLT3 (1.00) FLT3HRH4
SCHEMBL12271875 0.89 FLT3 (1.00) FLT3ACHE
SCHEMBL12273112 0.88 FLT3 (1.00) FLT3
SCHEMBL12273236 0.87 FLT3 (1.00) FLT3HRH4HRH3
SCHEMBL12272047 0.86 FLT3 (0.75) FLT3
SCHEMBL17907585 0.85 FLT3 (0.73) FLT3ACHEHRH4
SCHEMBL12272524 0.83 FLT3 (1.00) FLT3
SCHEMBL27945603 0.83 FLT3 (0.84) FLT3
SCHEMBL12272379 0.81 FLT3 (1.00) FLT3

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 12 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
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
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
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 5/4885ACHE 3622/4885ADRA2B 2153/4885

“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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