SCHEMBL12272001

SCHEMBL12272001

COC(OC)C(Br)c1ccnc(SC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
DYRK3 O43781 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
LMNA P02545 2/20 0.33

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
SCHEMBL2237572 0.83 MAPK9 (0.38) MAPK9MAPK10L3MBTL1GAAHTT
SCHEMBL1914533 0.80 L3MBTL1 (0.54) MAPK9MAPK10L3MBTL1GAAHTT
SCHEMBL6792166 0.78 L3MBTL1 (0.52) MAPK9MAPK10L3MBTL1GAAHTT
SCHEMBL10094582 0.73 MAPK9 (0.43) MAPK9MAPK10L3MBTL1GAAHTT
SCHEMBL4660326 0.72 MAPK9 (0.39) MAPK9MAPK10L3MBTL1GAAHTT
SCHEMBL28304876 0.72 MAPK9 (0.36) MAPK9MAPK10L3MBTL1GAAHTT
SCHEMBL28239177 0.72 GAA (0.43) MAPK9MAPK10L3MBTL1GAAHTT
SCHEMBL27945598 0.70 SLC6A3 (0.42) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL30388994 0.70 HTT (0.44) MAPK9MAPK10L3MBTL1GAAHTT
SCHEMBL7614766 0.70 L3MBTL1 (0.45) MAPK9MAPK10L3MBTL1GAAHTT

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 disclosed
EP-2686319-B1 IMIDAZO PYRAZINES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
CN-103429593-B Imidazopyrazines HOFFMAN-LA ROCHE LTD. (CH) 2015-09-09 CN 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
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
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 MAPK9 3583/4885MAPK10 3289/4885L3MBTL1 4559/4885

“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.