SCHEMBL16675917

SCHEMBL16675917

Cc1cc(N/C(=N\C(=O)Cc2ccccc2)Nc2cc(F)cc(Cl)c2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.43
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CDK7 P50613 2/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
CYP2D6 P10635 1/20 0.39
PLK4 O00444 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
AURKB Q96GD4 4/20 0.37
AURKA O14965 4/20 0.36
PSD A5PKW4 1/20 0.36
CSF1R P07333 2/20 0.36
RET P07949 2/20 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
SCHEMBL16675911 0.90 NPC1 (0.39) NPY5RCCNA2CDK2CCNA1NPC1
SCHEMBL16682180 0.87 CYP2D6 (0.51) NPY5RCCNA2CDK2CCNA1NPC1
SCHEMBL16865705 0.85 CCNA2 (0.50) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL16675898 0.83 NPC1 (0.39) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL16675894 0.83 RAB9A (0.39) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL16865707 0.81 NPC1 (0.47) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL16865704 0.80 RAB9A (0.57) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL16675904 0.80 GRM4 (0.40) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL16675906 0.80 NPC1 (0.36) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL9920888 0.79 NPC1 (0.43) CCNA2CDK2CCNA1NPC1RAB9A

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 NPY5R 4621/4885CCNA2 2214/4885CDK2 3048/4885

“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.