SCHEMBL12272218

SCHEMBL12272218

Brc1cccc(-c2cnc3c(NCCN4CCOCC4)nccn23)n1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 12/20 0.68
▸ ADORA3 P0DMS8 2/20 0.50
▸ HIF1A Q16665 1/20 0.43
▸ EGFR P00533 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL5408732 0.82 ADORA3 (0.59) FLT3ADORA3HIF1AEGFRSMN1; SMN2
SCHEMBL5408035 0.82 FLT3 (0.69) FLT3ADORA3HIF1ANPC1ALDH1A1
SCHEMBL12271835 0.81 FLT3 (0.68) FLT3ADORA3HIF1AKDM4EHSD17B10
SCHEMBL12271994 0.81 FLT3 (1.00) FLT3ADORA3
SCHEMBL12273036 0.80 FLT3 (0.67) FLT3ADORA3HIF1AHSD17B10FYN
SCHEMBL12272668 0.79 FLT3 (1.00) FLT3ADORA3
SCHEMBL12272948 0.78 FLT3 (1.00) FLT3ADORA3HIF1ASMN1; SMN2ALDH1A1
SCHEMBL12522896 0.77 FLT3 (0.64) FLT3ADORA3
Hydrochloric Acid SCHEMBL12273240 0.77 FLT3 (0.63) FLT3ADORA3SMN1; SMN2
Hydrochloric Acid SCHEMBL12273239 0.77 FLT3 (0.63) FLT3ADORA3

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 9 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
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
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
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 5/4885ADORA3 2926/4885HIF1A 3011/4885

“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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