SCHEMBL16675949

SCHEMBL16675949

COCC(C)N/C(=N/C(=O)C1CCCC1)Nc1n[nH]c2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.46
CTSK P43235 1/20 0.40
MAPK1 P28482 6/20 0.40
MAP2K4 P45985 1/20 0.39
AAK1 Q2M2I8 3/20 0.39
RIPK1 Q13546 1/20 0.39
GSK3A P49840 3/20 0.39
CDK2 P24941 2/20 0.39
PIK3CD O00329 1/20 0.39
PIM1 P11309 1/20 0.39
LMNA P02545 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
GAK O14976 1/20 0.38
STK16 O75716 1/20 0.38
BMP2K Q9NSY1 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
SCHEMBL16675954 0.90 RIPK1 (0.45) GSK3BMAPK1MAP2K4RIPK1GSK3A
SCHEMBL16675944 0.89 RIPK1 (0.45) GSK3BMAPK1RIPK1GSK3A
SCHEMBL16675950 0.83 GSK3B (0.43) GSK3BMAPK1MAP2K4AAK1
SCHEMBL16675935 0.82 GSK3B (0.49) GSK3BCTSKMAPK1MAP2K4LMNA
SCHEMBL16752841 0.80 GSK3B (0.46) GSK3BMAPK1MAP2K4LMNA
SCHEMBL16769262 0.80 GSK3B (0.46) GSK3BMAPK1MAP2K4LMNA
SCHEMBL16752844 0.80 GSK3B (0.46) GSK3BMAPK1MAP2K4LMNA
SCHEMBL16752848 0.80 GSK3B (0.46) GSK3BMAPK1MAP2K4LMNA
SCHEMBL16675920 0.76 CDK2 (0.39) CTSKMAPK1CDK2
SCHEMBL16675925 0.75 CDK2 (0.39) CTSKMAPK1RIPK1CDK2

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-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
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
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 GSK3B 4407/4885CTSK 2079/4885MAPK1 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.