SCHEMBL843230

SCHEMBL843230

CCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)nc2C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.37
CDK8 P49336 2/20 0.37
CDK1 P06493 1/20 0.37
UBE2M P61081 8/20 0.37
DCUN1D1 Q96GG9 8/20 0.37
MCHR1 Q99705 4/20 0.36
CCR5 P51681 2/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PTBP1 P26599 1/20 0.35
STK25 O00506 1/20 0.33
CIT O14578 1/20 0.33
MAP2K7 O14733 1/20 0.33
IKBKB O14920 1/20 0.33
AURKA O14965 1/20 0.33
GAK O14976 1/20 0.33
CHUK O15111 1/20 0.33
MUSK O15146 1/20 0.33
MAPK13 O15264 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
Hydrochloric Acid SCHEMBL842371 0.99 CDK2 (0.37) CDK2CDK8CDK1UBE2MDCUN1D1
Hydrochloric Acid SCHEMBL842650 0.99 CDK2 (0.37) CDK2CDK8CDK1UBE2MDCUN1D1
SCHEMBL2253885 0.99 CDK2 (0.37) CDK2CDK8CDK1UBE2MDCUN1D1
SCHEMBL2251435 0.96 CDK2 (0.38) CDK2CDK8CDK1UBE2MDCUN1D1
SCHEMBL2252579 0.95 UBE2M (0.37) CDK2CDK8CDK1UBE2MDCUN1D1
SCHEMBL2251489 0.94 UBE2M (0.36) CDK2CDK8CDK1UBE2MDCUN1D1
SCHEMBL2251396 0.94 UBE2M (0.36) CDK2CDK8CDK1UBE2MDCUN1D1
SCHEMBL4094280 0.94 CDK2 (0.37) CDK2CDK8CDK1UBE2MDCUN1D1
SCHEMBL2250983 0.93 MCHR1 (0.38) CDK2CDK8CDK1UBE2MDCUN1D1
SCHEMBL2250085 0.93 UBE2M (0.38) CDK2CDK8CDK1UBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1790637-B1 Derivatives of N-4-piperidyl urea and medicaments containing them as active ingredient ONO PHARMACEUTICAL CO (JP) 2014-01-29 EP claimed
EP-2546234-A1 Nitrogeneous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-01-16 EP claimed
US-8143404-B2 N-heterocycle urea compounds such as 5-([(butyl{1-[(2-methyl-6-{4-[(methylsulfonyl)amino]phenoxy)-3-pyridinyl)methyl]-4-piperidinyl}amino)carbonyl]amino)-2,4-difluorobenzamide; chemokine receptor CCR5 antagonists for various inflammatory diseases, autoimmune diseases, infectious diseases ONO PHARMACEUTICAL CO., LTD (JP) 2012-03-27 US claimed
US-20080057074-A1 Nitrogenous Heterocylic Derivative and Medicine Containing the Same as an Active Ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-03-06 US claimed
EP-1790637-B1 Derivatives of N-4-piperidyl urea and medicaments containing them as active ingredient ONO PHARMACEUTICAL CO (JP) 2014-01-29 EP 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-20080057074-A1 Nitrogenous Heterocylic Derivative and Medicine Containing the Same as an Active Ingredient CXCR3, CCR5, CCR1 CDK2 402/4885CDK8 647/4885CDK1 209/4885

“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.