SCHEMBL4033368

SCHEMBL4033368

COc1ccnc2c1cc1ccnc(N)n12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.45
CDK5R1 Q15078 2/20 0.45
CDK9 P50750 2/20 0.45
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
PDGFRA P16234 2/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 2/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
RET P07949 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35

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
SCHEMBL13812012 0.74 PTPN1 (0.36) PDGFRAPDGFRBMAPK8CLK4DYRK1B
SCHEMBL4028663 0.74 MET (0.42) PDGFRAKDRFYN
SCHEMBL4033384 0.70 SLC40A1 (0.45)
SCHEMBL4033131 0.68 CDK9 (0.43) CDK5CDK5R1CDK9CCNT1CCNA2
SCHEMBL12354936 0.66 CDK5 (0.38) CDK5CDK5R1CDK9CCNT1CCNA2
Hydrochloric Acid SCHEMBL23152475 0.64 HASPIN (0.41) CDK5CDK5R1CDK9CCNT1EHMT2
SCHEMBL14908846 0.64 PDPK1 (0.51) PDGFRAPDGFRBKDR
SCHEMBL24010756 0.64 DOT1L (0.48) PDGFRAPDGFRB
SCHEMBL4392192 0.62 PDGFRB (0.36) CDK5CDK5R1PDGFRAPDGFRB
SCHEMBL4400367 0.62 PDGFRB (0.72) PDGFRAPDGFRB

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 CDK5 1270/4885CDK5R1 1780/4885CDK9 1601/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP CDK5 1276/4885CDK5R1 2047/4885CDK9 2228/4885

“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.