SCHEMBL2256386

SCHEMBL2256386

CC(C)c1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(CC2CC2)C(=O)Nc2cc(C(N)=O)c(F)cc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
CDK8 P49336 1/20 0.36
TRPV1 Q8NER1 12/20 0.34
UBE2M P61081 3/20 0.33
DCUN1D1 Q96GG9 3/20 0.33
DRD2 P14416 3/20 0.32
ADRA1A P35348 3/20 0.32
ABL1 P00519 1/20 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
SCHEMBL2249986 0.97 CDK1 (0.35) CDK1CDK2CDK8TRPV1UBE2M
SCHEMBL2247960 0.92 CDK1 (0.37) CDK1CDK2CDK8TRPV1UBE2M
SCHEMBL2256696 0.91 UBE2M (0.39) CDK1CDK2CDK8TRPV1UBE2M
SCHEMBL2252076 0.91 CDK2 (0.36) CDK1CDK2CDK8TRPV1UBE2M
SCHEMBL2254899 0.91 CDK1 (0.35) CDK1CDK2CDK8TRPV1UBE2M
SCHEMBL2256764 0.90 CDK1 (0.36) CDK1CDK2CDK8TRPV1UBE2M
SCHEMBL2250894 0.90 CDK1 (0.36) CDK1CDK2CDK8TRPV1UBE2M
SCHEMBL2251570 0.89 CDK1 (0.35) CDK1CDK2CDK8TRPV1UBE2M
SCHEMBL2253927 0.89 CDK2 (0.35) CDK1CDK2CDK8TRPV1UBE2M
SCHEMBL2252411 0.86 GALR3 (0.41) UBE2MDCUN1D1

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 CDK1 327/4885CDK2 641/4885CDK8 590/4885

“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.