SCHEMBL1642940

SCHEMBL1642940

Nc1ncc(-c2ccnc(F)c2)nc1NCCc1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
EIF2AK2 P19525 2/20 0.47
GBA1 P04062 1/20 0.47
HTR1A P08908 4/20 0.47
DRD2 P14416 4/20 0.47
HTR2A P28223 4/20 0.47
HTR7 P34969 4/20 0.47
HTR6 P50406 4/20 0.47
CCNT1 O60563 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL1642383 0.88 EIF2AK2 (0.55) KMT2AMEN1EIF2AK2GBA1HTR1A
SCHEMBL1641643 0.85 HTT (0.49) KMT2AMEN1EIF2AK2GBA1HTR1A
SCHEMBL1642371 0.84 GBA1 (0.63) KMT2AMEN1EIF2AK2GBA1HTR1A
SCHEMBL1641373 0.80 PDPK1 (0.53) KMT2AMEN1GBA1NPC1RAB9A
SCHEMBL1642875 0.79 KMT2A (0.54) KMT2AMEN1GBA1HTR1ADRD2
SCHEMBL1642612 0.77 CYP1A2 (0.55) KMT2AMEN1CDK2SMN1; SMN2LMNA
SCHEMBL20557614 0.70 EIF2AK2 (0.61) KMT2AMEN1EIF2AK2GBA1HTR1A
SCHEMBL4900043 0.69 EIF2AK2 (0.75) KMT2AMEN1EIF2AK2GBA1HTR1A
SCHEMBL23991684 0.69 GBA1 (0.41) KMT2AMEN1EIF2AK2GBA1NPC1
SCHEMBL31240605 0.69 AKT1 (0.50) KMT2AMEN1EIF2AK2HTR1ADRD2

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-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-20130203774-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF AKINION PHARMACEUTICALS AB (SE) 2013-08-08 US 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
US-20110098310-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF BIOVITRUM AB (SE) 2011-04-28 US disclosed
US-20110098310-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF BIOVITRUM AB (SE) 2011-04-28 US 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 114/4885MEN1 359/4885EIF2AK2 3543/4885
US-20110098310-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF FLT3, MLLT1, MYD88 KMT2A 114/4885MEN1 359/4885EIF2AK2 3543/4885

“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.