SCHEMBL4034066

SCHEMBL4034066

COc1ccnc2c1c(I)c1ccnc(NC(C)=O)n12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CCNA1 P78396 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.35
TOP2A P11388 1/20 0.35
MET P08581 1/20 0.34
PIM1 P11309 1/20 0.33
LIMK1 P53667 1/20 0.33
ATM Q13315 1/20 0.33
ADRA2B P18089 1/20 0.33
DDR2 Q16832 1/20 0.33
IKBKB O14920 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4033403 0.77 MEN1 (0.44) CDK9ATMALDH1A1MEN1KMT2A
SCHEMBL4825123 0.77 ALDH1A1 (0.39) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL4028663 0.73 MET (0.42) PARP2IRAK4TOP2AMETATM
SCHEMBL4821077 0.68 CCNT1 (0.46) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL7179266 0.62 ALDH1A1 (0.55) TOP2AATMALDH1A1GAAMAPT
SCHEMBL13847790 0.61 CDK9 (0.51) CDK2CDK9GAAMEN1KMT2A
SCHEMBL4035865 0.61 MTNR1A (0.40) ALDH1A1MAPTMEN1KMT2A
SCHEMBL2998359 0.61 CDK5 (0.50) CDK5CDK5R1IKBKBALDH1A1GAA
SCHEMBL19126747 0.60 GFER (0.54) ATMALDH1A1GAAMAPTMEN1
SCHEMBL10104606 0.59 CFTR (0.36) CCNT1CCNA2CDK2CDK9CCNA1

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 CCNT1 407/4885CCNA2 78/4885CDK2 76/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP CCNT1 678/4885CCNA2 125/4885CDK2 142/4885

“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.