SCHEMBL16675907

SCHEMBL16675907

Cc1cc(N/C(=N\C(=O)Cc2ccccc2)NCC(C)(C)O)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.46
CCNA2 P20248 4/20 0.46
CCNA1 P78396 4/20 0.46
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NPY5R Q15761 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RET P07949 5/20 0.39
ATM Q13315 1/20 0.38
KDR P35968 1/20 0.38
JAK2 O60674 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL16675912 0.92 RET (0.39) CDK2CCNA2CCNA1CDK7CCNH
SCHEMBL16682120 0.87 NPY5R (0.38) CDK2CCNA2CCNA1NPY5RRET
SCHEMBL16675899 0.84 CCNA2 (0.40) CDK2CCNA2CCNA1CDK7CCNH
SCHEMBL16675902 0.82 CCNA2 (0.38) CDK2CCNA2CCNA1NPC1RAB9A
SCHEMBL16675915 0.80 CCNA2 (0.37) CDK2CCNA2CCNA1NPC1RAB9A
SCHEMBL16682168 0.78 P2RX7 (0.37) CDK2RET
SCHEMBL16675896 0.78 RET (0.37) CDK2CCNA2CCNA1NPC1RAB9A
SCHEMBL16675922 0.77 CDK7 (0.44) CDK2CCNA2CCNA1CDK7CCNH
SCHEMBL16675916 0.77 CDK2 (0.48) CDK2CCNA2CCNA1CDK7CCNH
SCHEMBL16675917 0.75 NPY5R (0.43) CDK2CCNA2CCNA1CDK7CCNH

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 3048/4885CCNA2 2214/4885CCNA1 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.