SCHEMBL4028663

SCHEMBL4028663

COc1ccnc2c1cc1ccnc(NC(C)=O)n12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
DDR2 Q16832 1/20 0.41
PARP2 Q9UGN5 1/20 0.39
ATM Q13315 1/20 0.39
PDGFRA P16234 7/20 0.37
KDR P35968 7/20 0.37
FYN P06241 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
SRC P12931 2/20 0.36
TGFBR1 P36897 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TOP2A P11388 1/20 0.34

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
SCHEMBL4033384 0.75 SLC40A1 (0.45) MEN1KMT2ASMN1; SMN2
SCHEMBL4035865 0.75 MTNR1A (0.40) MEN1KMT2A
SCHEMBL4033368 0.74 CDK5 (0.45) PDGFRAKDRFYN
SCHEMBL4034066 0.73 CCNT1 (0.38) METDDR2PARP2ATMFYN
SCHEMBL13812012 0.70 PTPN1 (0.36) PDGFRA
SCHEMBL4033403 0.66 MEN1 (0.44) ATMSRCMEN1KMT2A
SCHEMBL19126747 0.62 GFER (0.54) ATMMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL19957225 0.62 MET (0.49) METATMPDGFRAKDRSRC
SCHEMBL23584982 0.61 MET (0.65) METDDR2PDGFRAKDRSRC
SCHEMBL17144058 0.60 AAK1 (0.59) FYN

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 MET 1891/4885DDR2 571/4885PARP2 237/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP MET 1976/4885DDR2 573/4885PARP2 188/4885

“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.