SCHEMBL1642371

SCHEMBL1642371

Nc1ncc(-c2cccnc2)nc1NCCc1c[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.63
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CYP1A2 P05177 4/20 0.50
CYP3A4 P08684 4/20 0.50
CYP2D6 P10635 4/20 0.50
CYP2C19 P33261 4/20 0.50
CLK4 Q9HAZ1 4/20 0.50
HSD17B10 Q99714 3/20 0.50
USP2 O75604 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
TSHR P16473 1/20 0.50
CCNT1 O60563 1/20 0.49
CCNA2 P20248 1/20 0.49

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 0.90 EIF2AK2 (0.55) GBA1NPC1RAB9AKMT2AMEN1
SCHEMBL1641643 0.87 HTT (0.49) GBA1NPC1RAB9AKMT2AMEN1
SCHEMBL1642940 0.84 KMT2A (0.50) GBA1NPC1RAB9AKMT2AMEN1
SCHEMBL1641373 0.83 PDPK1 (0.53) GBA1CDK4CCND1NPC1RAB9A
SCHEMBL1642875 0.81 KMT2A (0.54) GBA1NPC1RAB9AKMT2AMEN1
SCHEMBL1642612 0.81 CYP1A2 (0.55) CDK4CCND1KMT2AMEN1CYP1A2
SCHEMBL4902818 0.81 CCNT1 (0.71) GBA1CDK4CCND1NPC1RAB9A
SCHEMBL18354084 0.78 GBA1 (1.00) GBA1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL3962080 0.76 CDK4 (0.58) GBA1CDK4CCND1NPC1RAB9A
SCHEMBL3715061 0.76 GBA1 (0.55) GBA1CDK4CCND1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011510948-A 2011-04-07 JP claimed
EP-2252597-A2 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF Akinion Pharmaceuticals AB (SE) 2010-11-24 EP claimed
WO-2009095399-A2 PYRAZINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHBITORS AKINION PHARMACEUTICALS AB (SE) 2009-08-06 WO claimed
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-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
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
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 GBA1 4606/4885CDK4 146/4885CCND1 94/4885
US-20110098310-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF FLT3, MLLT1, MYD88 GBA1 4606/4885CDK4 146/4885CCND1 94/4885

“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.