SCHEMBL4881393

SCHEMBL4881393

Cc1cc(Nc2ccnc(Nc3ccc(S(=O)(=O)N(C)C4CCN(CCP(=O)(O)O)CC4)cc3)n2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.41
CDK4 P11802 1/20 0.41
CCNE1 P24864 1/20 0.41
APOBEC3A P31941 3/20 0.40
APOBEC3G Q9HC16 3/20 0.40
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTR2A P28223 5/20 0.39
HTR1A P08908 4/20 0.39
DRD2 P14416 4/20 0.39
HTR7 P34969 4/20 0.39
ACVR1 Q04771 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CCR2 P41597 1/20 0.37
HTR2C P28335 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL4876738 0.94 APOBEC3A (0.41) CDK2CDK4CCNE1APOBEC3AAPOBEC3G
SCHEMBL4885573 0.91 L3MBTL1 (0.48) CDK2CCNE1APOBEC3AAPOBEC3GL3MBTL1
SCHEMBL14020208 0.90 CDK2 (0.39) CDK2CDK4CCNE1APOBEC3AAPOBEC3G
SCHEMBL4882012 0.89 CDK4 (0.42) CDK2CDK4CCNE1APOBEC3AAPOBEC3G
SCHEMBL4621383 0.88 HTR2A (0.49) CDK2CDK4CCNE1APOBEC3AAPOBEC3G
SCHEMBL4878709 0.86 CDK2 (0.41) CDK2CDK4CCNE1APOBEC3AAPOBEC3G
Methane SCHEMBL4882021 0.86 CDK2 (0.41) CDK2CDK4CCNE1APOBEC3AAPOBEC3G
SCHEMBL4649530 0.84 JAK2 (0.40) CDK2CDK4CCNE1APOBEC3AAPOBEC3G
SCHEMBL4648890 0.84 CDK4 (0.40) CDK2CDK4CCNE1APOBEC3AAPOBEC3G
SCHEMBL14020286 0.84 CDK4 (0.40) CDK2CDK4CCNE1APOBEC3AAPOBEC3G

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 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 (1 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-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors NFKBIA, IKBKB, IKBKE CDK2 9/4885CDK4 54/4885CCNE1 271/4885

“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.