SCHEMBL4883484

SCHEMBL4883484

Cc1cc(Nc2ccnc(Nc3ccc(S(=O)(=O)N(Cc4ccco4)C4CCN(C)CC4)cc3)n2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.45
JAK3 P52333 5/20 0.45
EGFR P00533 3/20 0.41
CDK4 P11802 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
UBE2M P61081 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AXL P30530 1/20 0.37
BTK Q06187 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MAP4K1 Q92918 1/20 0.36
BRD4 O60885 1/20 0.36
IGF1R P08069 1/20 0.35

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
SCHEMBL14020092 0.94 JAK2 (0.41) JAK2JAK3EGFRCDK4CCNE1
SCHEMBL14020291 0.90 CDK2 (0.41) JAK2JAK3CDK4CCNE1CDK2
SCHEMBL4623357 0.86 JAK2 (0.48) JAK2JAK3EGFRCDK4CCNE1
Hydrochloric Acid SCHEMBL4881375 0.86 JAK2 (0.47) JAK2JAK3EGFRCDK4CCNE1
SCHEMBL4708984 0.85 AXL (0.46) JAK2JAK3EGFRCDK4CCNE1
SCHEMBL4708985 0.85 AXL (0.41) JAK2CDK4UBE2MDCUN1D1ALDH1A1
SCHEMBL4621383 0.84 HTR2A (0.49) JAK2JAK3EGFRCDK4CCNE1
SCHEMBL4622912 0.84 JAK2 (0.45) JAK2JAK3EGFRCDK4CCNE1
SCHEMBL4882127 0.84 CDK4 (0.43) JAK2JAK3EGFRCDK4CCNE1
SCHEMBL14020086 0.81 IGF1R (0.42) JAK2JAK3EGFRCDK4CCNE1

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 JAK2 96/4885JAK3 303/4885EGFR 2423/4885

“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.