SCHEMBL4027865

SCHEMBL4027865

O=c1[nH]ccc2cc3cccnc3n12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
AXL P30530 1/20 0.40
NUDT1 P36639 1/20 0.40
DAO P14920 4/20 0.37
PARP1 P09874 1/20 0.33
CYP2C19 P33261 4/20 0.33
CYP1A2 P05177 3/20 0.33
HPGD P15428 2/20 0.33
CYP2C9 P11712 1/20 0.33
PDE2A O00408 1/20 0.33
PDE6D O43924 1/20 0.33
PDE8A O60658 1/20 0.33
PDE5A O76074 1/20 0.33
PDE9A O76083 1/20 0.33
PDE8B O95263 1/20 0.33
PDE6A P16499 1/20 0.33
PDE6G P18545 1/20 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
SCHEMBL14269066 0.73 MAPK8 (0.41) MAPK8DYRK1ACLK4DYRK1B
Hydrochloric Acid SCHEMBL7439478 0.72 MAPK8 (0.43) MAPK8DYRK1ACLK4DYRK1BDAO
SCHEMBL13812012 0.70 PTPN1 (0.36) MAPK8DYRK1ACLK4DYRK1BPDE4B
SCHEMBL4033131 0.69 CDK9 (0.43) MAPK8DYRK1ACLK4DYRK1BPARP1
SCHEMBL14269055 0.69 SLC22A12 (0.38) DYRK1APARP1CYP2C19CYP1A2PDE10A
SCHEMBL13812076 0.69 MEN1 (0.37) DAOPARP1CYP2C19CYP1A2PDE2A
SCHEMBL4029109 0.68 MTNR1A (0.36) DAOPARP1CYP2C19CYP1A2L3MBTL1
SCHEMBL13812011 0.67 ACHE (0.37) MAPK8DYRK1ACLK4DYRK1BDAO
SCHEMBL14294451 0.67 ACHE (0.37) MAPK8DYRK1ACLK4DYRK1BAXL
SCHEMBL4504578 0.66 KDM4E (0.37) PARP1CYP2C19CYP1A2L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307454-B1 DERIVATIVES OF VARIOLIN B PHARMA MAR SA (ES) 2009-06-03 EP disclosed
EP-1307454-B1 DERIVATIVES OF VARIOLIN B PHARMA MAR SA (ES) 2009-06-03 EP disclosed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US disclosed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US disclosed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 US disclosed
US-20040058939-A1 Derivatives of variolin b PHARMA MAR, S.A. (ES) 2004-03-25 US disclosed
EP-1307454-A1 DERIVATIVES OF VARIOLIN B Universidad de Barcelona (ES) 2003-05-07 EP disclosed
WO-2002012240-A1 DERIVATIVES OF VARIOLIN B UNIVERSIDAD DE BARCELONA (ES) 2002-02-14 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-20080033001-A1 Derivatives of Variolin B ARG2, SDHB, OAT MAPK8 1535/4885DYRK1A 1082/4885CLK4 1976/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP MAPK8 1783/4885DYRK1A 1732/4885CLK4 2681/4885

“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.