SCHEMBL4034265

SCHEMBL4034265

COCn1ccc2c(Br)c3cccnc3n2c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.35
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
GSK3B P49841 4/20 0.34
PRKCB P05771 3/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
RPS6KA3 P51812 1/20 0.34
CCNA1 P78396 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
ACHE P22303 1/20 0.33
MAPT P10636 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 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
SCHEMBL14269060 0.88 FEN1 (0.35) FEN1POLBPKMGSK3BPRKCB
SCHEMBL4036219 0.86 FEN1 (0.34) FEN1POLBPKMGSK3BPRKCB
SCHEMBL14269074 0.77 CDK9 (0.41) GSK3BCCNA2CDK2CCNA1KDM4E
SCHEMBL14293891 0.77 CDK9 (0.41) GSK3BPTPN1
SCHEMBL15396610 0.76 GSK3B (0.34) GSK3BACHEMAPTCNR1CNR2
SCHEMBL4029109 0.73 MTNR1A (0.36) FEN1POLBPKMGSK3BPRKCB
SCHEMBL14294451 0.70 ACHE (0.37) FEN1CCNA2CDK2ACHEMAPT
SCHEMBL30064732 0.68 MTNR1A (0.51) PKMGSK3BCDK2CNR1CNR2
SCHEMBL18238677 0.64 PDE4A (0.45) FEN1GSK3BPRKCBCCNA2CDK2
SCHEMBL30057845 0.61 FEN1 (0.40) FEN1POLBPKMMAPTTHRB

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 6 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

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 FEN1 4171/4885POLB 1449/4885PKM 1940/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP FEN1 4101/4885POLB 1365/4885PKM 2647/4885

“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.