SCHEMBL2250451

SCHEMBL2250451

CC#CCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(S(C)(=O)=O)cc3)nc2C(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.34
KCNH2 Q12809 4/20 0.34
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
CDK8 P49336 1/20 0.32
DRD2 P14416 2/20 0.31
ADRA1A P35348 2/20 0.31
CCR5 P51681 7/20 0.31
THRB P10828 1/20 0.31
TRPV1 Q8NER1 2/20 0.31

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
SCHEMBL2251803 0.93 DRD2 (0.33) GPR119KCNH2UBE2MDCUN1D1CDK1
SCHEMBL2254899 0.93 CDK1 (0.35) KCNH2UBE2MDCUN1D1CDK1CDK2
SCHEMBL2253313 0.92 CCR5 (0.36) GPR119KCNH2UBE2MDCUN1D1JAK2
SCHEMBL2249707 0.92 UBE2M (0.32) KCNH2UBE2MDCUN1D1CDK1CDK2
SCHEMBL2255297 0.92 DRD2 (0.33) UBE2MDCUN1D1CDK1CDK2CDK8
SCHEMBL2251493 0.91 UBE2M (0.36) GPR119KCNH2UBE2MDCUN1D1CDK1
SCHEMBL2256057 0.89 UBE2M (0.37) GPR119KCNH2UBE2MDCUN1D1CDK1
SCHEMBL2250463 0.85 CCR5 (0.35) GPR119KCNH2UBE2MDCUN1D1CDK1
SCHEMBL2250434 0.85 CDK2 (0.36) KCNH2UBE2MDCUN1D1JAK2JAK1
SCHEMBL2256106 0.85 CCR5 (0.36) KCNH2UBE2MDCUN1D1CDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003642-B2 Nitrogenated heterocyclic derivative, and pharmaceutical agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-08-23 US claimed
US-8003642-B2 Nitrogenated heterocyclic derivative, and pharmaceutical agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-08-23 US disclosed
US-20090131403-A1 NITROGENATED HETEROCYCLIC DERIVATIVE , AND PHARMACEUTICAL AGENT COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2009-05-21 US disclosed
EP-1995246-A1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND PHARMACEUTICAL AGENT COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2008-11-26 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-20090131403-A1 NITROGENATED HETEROCYCLIC DERIVATIVE , AND PHARMACEUTICAL AGENT COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT CXCR3, CCR5, HLA-DRB1 GPR119 243/4885KCNH2 4115/4885UBE2M 3904/4885

“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.