SCHEMBL1642875

SCHEMBL1642875

Nc1ncc(Br)nc1NCCc1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
SLC2A1 P11166 1/20 0.54
RAD52 P43351 1/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
GFER P55789 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HTR2A P28223 8/20 0.53
HTR1A P08908 7/20 0.53
DRD2 P14416 6/20 0.53
HTR7 P34969 6/20 0.53
HTR6 P50406 6/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL1641643 0.83 HTT (0.49) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL1642383 0.82 EIF2AK2 (0.55) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL1642371 0.81 GBA1 (0.63) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL1642940 0.79 KMT2A (0.50) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL1641373 0.78 PDPK1 (0.53) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL1642612 0.76 CYP1A2 (0.55) KMT2ALMNAMAPTMAPK1SMN1; SMN2
SCHEMBL557824 0.75 APP (0.51) KMT2AHTTLMNAMAPK1L3MBTL1
SCHEMBL29244496 0.75 KMT2A (0.55) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL30278225 0.75 KMT2A (0.55) KMT2APOLBSLC2A1RAD52HTT
SCHEMBL21256131 0.73 HDAC3 (0.44) KMT2APOLBSLC2A1RAD52HTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252597-B1 PYRAZINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS AKINION PHARMACEUTICALS AB (SE) 2014-03-19 EP disclosed
EP-2671876-A2 Pyrazine derivatives and their use as protein kinase inhbitors Akinion Pharmaceuticals AB (SE) 2013-12-11 EP disclosed
US-20130203774-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF AKINION PHARMACEUTICALS AB (SE) 2013-08-08 US disclosed
US-8436171-B2 Amino substituted pyrazines as inhibitors or protein kinases AKINION PHARMACEUTICALS AB (SE) 2013-05-07 US disclosed
US-20110098310-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF BIOVITRUM AB (SE) 2011-04-28 US disclosed
EP-2252597-A2 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF Akinion Pharmaceuticals AB (SE) 2010-11-24 EP disclosed
WO-2009095399-A2 PYRAZINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHBITORS AKINION PHARMACEUTICALS AB (SE) 2009-08-06 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 (2 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-20130203774-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF FLT3, MLLT1, MYD88 KMT2A 114/4885POLB 2583/4885SLC2A1 4840/4885
US-20110098310-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF FLT3, MLLT1, MYD88 KMT2A 114/4885POLB 2583/4885SLC2A1 4840/4885

“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.