SCHEMBL16675902

SCHEMBL16675902

Cc1cc(N/C(=N\C(=O)CC(C)C)NCC(C)(C)O)n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CCNA1 P78396 2/20 0.38
RET P07949 6/20 0.37
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
ATM Q13315 1/20 0.35
CTSK P43235 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAP3K5 Q99683 1/20 0.33
SRC P12931 3/20 0.33
AURKA O14965 3/20 0.33
LCK P06239 2/20 0.33
CTSS P25774 1/20 0.33
FYN P06241 1/20 0.33
YES1 P07947 1/20 0.33
AURKB Q96GD4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL16675915 0.89 CCNA2 (0.37) CCNA2CDK2CCNA1RETNPC1
SCHEMBL16675899 0.86 CCNA2 (0.40) CCNA2CDK2CCNA1RETNPC1
SCHEMBL16682107 0.86 RET (0.37) CDK2RETSRCLCK
SCHEMBL16675921 0.85 CCNA2 (0.40) CCNA2CDK2CCNA1RETNPC1
SCHEMBL16675907 0.82 CDK2 (0.46) CCNA2CDK2CCNA1RETNPC1
SCHEMBL16675912 0.82 RET (0.39) CCNA2CDK2CCNA1RETNPC1
SCHEMBL16675896 0.80 RET (0.37) CCNA2CDK2CCNA1RETNPC1
SCHEMBL16675924 0.78 RET (0.36) CCNA2CDK2CCNA1RETNPC1
SCHEMBL16675903 0.77 MAPK1 (0.39) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL16675927 0.77 RET (0.37) CCNA2CDK2CCNA1RETSRC

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 CCNA2 2214/4885CDK2 3048/4885CCNA1 2772/4885

“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.