SCHEMBL4029109

SCHEMBL4029109

COCn1ccc2cc3cccnc3n2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.36
DAO P14920 1/20 0.34
SLC22A12 Q96S37 3/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
PARP1 P09874 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
GLO1 Q04760 1/20 0.31
PDGFRB P09619 1/20 0.31

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
SCHEMBL30064732 0.74 MTNR1A (0.51) MTNR1ADAOSLC22A12CNR1CNR2
SCHEMBL14269060 0.73 FEN1 (0.35) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL4034265 0.73 FEN1 (0.35) CNR1CNR2KDM4ECYP1A2CYP2C19
SCHEMBL4036219 0.72 FEN1 (0.34) MTNR1ACNR1CNR2KDM4ECYP1A2
SCHEMBL15396610 0.70 GSK3B (0.34) CNR1CNR2MAPTTHRBGSK3B
SCHEMBL4033281 0.69 L3MBTL1 (0.65) L3MBTL1KDM4ECYP2C19KMT2ARAPGEF4
SCHEMBL4027865 0.68 MAPK8 (0.43) DAOL3MBTL1KDM4EMEN1CYP1A2
SCHEMBL14269074 0.67 CDK9 (0.41) KDM4ECCNA2CDK2GSK3BCCNA1
SCHEMBL14293891 0.67 CDK9 (0.41) GSK3B
SCHEMBL14269055 0.65 SLC22A12 (0.38) SLC22A12L3MBTL1KDM4EMEN1CYP1A2

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 8 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
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-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 MTNR1A 2311/4885DAO 2603/4885SLC22A12 1064/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP MTNR1A 2052/4885DAO 2377/4885SLC22A12 1551/4885

“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.