SCHEMBL4033403

SCHEMBL4033403

CC(=O)Nc1nccc2c(I)c3cccnc3n12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CLK1 P49759 1/20 0.38
ELANE P08246 3/20 0.35
ATM Q13315 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
AKT1 P31749 1/20 0.35
ACHE P22303 1/20 0.34
MTNR1A P48039 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
PARP14 Q460N5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CDK9 P50750 1/20 0.33
PABPC1 P11940 1/20 0.33
EIF4H Q15056 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
SCHEMBL13847790 0.78 CDK9 (0.51) MEN1KMT2AADORA3AKT1KDM4E
SCHEMBL13220600 0.77 CDK9 (0.47) MEN1KMT2ACLK1ELANEADORA3
SCHEMBL4029230 0.76 CDK9 (0.46) MEN1KMT2AADORA3AKT1KDM4E
SCHEMBL13848075 0.76 CDK9 (0.46) MEN1KMT2ACLK1ADORA3TP53
SCHEMBL4029234 0.75 KMT2A (0.49) MEN1KMT2AEGFRKDM4EALDH1A1
SCHEMBL4035865 0.71 MTNR1A (0.40) MEN1KMT2AADORA3AKT1MTNR1A
SCHEMBL13848030 0.66 CDK9 (0.66) MEN1KMT2AADORA3AKT1ACHE
SCHEMBL13812011 0.66 ACHE (0.37) MEN1KMT2AACHEHPGDCDK9
SCHEMBL4028663 0.66 MET (0.42) MEN1KMT2AATMSRC
SCHEMBL2789409 0.65 KMT2A (0.46) MEN1KMT2ACLK1ATMKDM4E

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 MEN1 2136/4885KMT2A 1287/4885CLK1 2465/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP MEN1 2386/4885KMT2A 1337/4885CLK1 3052/4885

“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.