SCHEMBL4882009

SCHEMBL4882009

CN1CCC(N(CCCC2CCCO2)S(=O)(=O)c2ccc(Nc3nccc(Nc4ccc(F)cc4)n3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.41
CDK4 P11802 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KCNH3 Q9ULD8 1/20 0.40
EGFR P00533 3/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 1/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TNK2 Q07912 4/20 0.38
JAK2 O60674 2/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL14020280 0.91 MEN1 (0.43) CDK2CDK4MEN1KMT2ANPC1
SCHEMBL4876820 0.85 MEN1 (0.48) CDK2CDK4MEN1KMT2ANPC1
SCHEMBL4623410 0.84 MAPT (0.46) CDK2CDK4MEN1KMT2ANPC1
SCHEMBL4622287 0.84 HTR2A (0.47) CDK2CDK4MEN1KMT2ANPC1
SCHEMBL4622666 0.84 MEN1 (0.47) CDK2CDK4MEN1KMT2ANPC1
SCHEMBL4621951 0.84 MEN1 (0.47) CDK2CDK4MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL4886318 0.83 MEN1 (0.47) CDK2CDK4MEN1KMT2ANPC1
SCHEMBL4622402 0.83 MEN1 (0.47) CDK2CDK4MEN1KMT2ANPC1
SCHEMBL4883738 0.83 MEN1 (0.50) CDK2CDK4MEN1KMT2ANPC1
SCHEMBL4882127 0.83 CDK4 (0.43) CDK2CDK4EGFRTNK2JAK2

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 54/4885MEN1 3980/4885

“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.