SCHEMBL16682111

SCHEMBL16682111

COCC(C)N/C(=N/C(=O)Cc1ccccc1)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.46
CCNE1 P24864 4/20 0.46
MAPK1 P28482 7/20 0.38
GSK3B P49841 1/20 0.36
POLB P06746 1/20 0.36
NPY5R Q15761 1/20 0.36
MME P08473 1/20 0.35
ACKR3 P25106 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 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
SCHEMBL16682126 0.91 HPGD (0.42) CDK2CCNE1MAPK1NPY5RACKR3
SCHEMBL16675916 0.87 CDK2 (0.48) CDK2CCNE1MAPK1GSK3BPOLB
SCHEMBL16682080 0.86 CCNE1 (0.37) CDK2CCNE1MAPK1POLB
SCHEMBL18556907 0.85 CCNE1 (0.37) CDK2CCNE1MAPK1POLB
SCHEMBL16682110 0.83 MAPK1 (0.36) CDK2CCNE1MAPK1POLB
SCHEMBL18558426 0.81 MAPK1 (0.37) MAPK1
SCHEMBL18558119 0.81 MAPK1 (0.38) CDK2CCNE1MAPK1
SCHEMBL18556902 0.80 CCNE1 (0.39) CDK2CCNE1MAPK1ACKR3
SCHEMBL18558551 0.80 ALDH1A1 (0.41) CDK2CCNE1MAPK1POLBNPY5R
SCHEMBL18558522 0.80 SMN1; SMN2 (0.41) CDK2POLBCCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 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-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C CDK2 3048/4885CCNE1 3962/4885MAPK1 3291/4885

“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.