SCHEMBL4881935

SCHEMBL4881935

Cc1cc(Nc2ccnc(Nc3ccc(S(=O)(=O)N(C)C4CCN(Cc5cnn(C)c5)CC4)cc3)n2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.41
CCNE1 P24864 3/20 0.40
CDK2 P24941 3/20 0.40
CDK4 P11802 1/20 0.40
JAK2 O60674 5/20 0.39
JAK3 P52333 3/20 0.39
AXL P30530 3/20 0.39
BRD4 O60885 2/20 0.38
CCNB2 O95067 2/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
CCNB3 Q8WWL7 2/20 0.37
CCNE2 O96020 2/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
HTR1A P08908 3/20 0.37
DRD2 P14416 3/20 0.37
HTR2A P28223 3/20 0.37

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
SCHEMBL14020286 0.90 CDK4 (0.40) ACVR1CCNE1CDK2CDK4JAK2
SCHEMBL4648890 0.89 CDK4 (0.40) ACVR1CCNE1CDK2CDK4JAK2
SCHEMBL4650964 0.88 NAMPT (0.42) ACVR1CCNE1CDK2CDK4JAK2
SCHEMBL4621383 0.86 HTR2A (0.49) CCNE1CDK2CDK4JAK2JAK3
SCHEMBL4882012 0.86 CDK4 (0.42) ACVR1CCNE1CDK2CDK4JAK2
SCHEMBL4649530 0.86 JAK2 (0.40) ACVR1CCNE1CDK2CDK4JAK2
SCHEMBL4621404 0.85 SCN8A (0.43) ACVR1CCNE1CDK2CDK4JAK2
SCHEMBL4880668 0.85 ACVR1 (0.40) ACVR1CCNE1CDK2CDK4JAK2
SCHEMBL4623364 0.85 IGF1R (0.41) ACVR1CCNE1CDK2CDK4JAK2
SCHEMBL4623346 0.84 CDK2 (0.40) ACVR1CCNE1CDK2CDK4JAK2

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 3 patents. 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
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
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 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 (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 ACVR1 3706/4885CCNE1 271/4885CDK2 9/4885

“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.