SCHEMBL427717

SCHEMBL427717

Cc1ccc2ncc(F)c(C(O)CC[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C(O)CO)c2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.44
USP30 Q70CQ3 1/20 0.38
TRPV3 Q8NET8 3/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND3 P30281 1/20 0.37
CDK6 Q00534 1/20 0.37
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
PIK3CD O00329 3/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
GPR119 Q8TDV5 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
SCHEMBL10188160 0.92 KCNH2 (0.54) KCNH2
SCHEMBL14037922 0.92 KCNH2 (0.54) KCNH2
SCHEMBL428427 0.88 KCNH2 (0.55) KCNH2
SCHEMBL426430 0.86 KCNH2 (0.44) KCNH2USP30ALOX5APFEN1PIK3CD
SCHEMBL6806086 0.79 KCNH2 (0.67) KCNH2
SCHEMBL10188161 0.79 KCNH2 (0.67) KCNH2
SCHEMBL6806088 0.79 KCNH2 (0.67) KCNH2
SCHEMBL5185320 0.79 KCNH2 (0.41) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5185304 0.79 KCNH2 (0.56) KCNH2
SCHEMBL5185308 0.79 KCNH2 (0.56) KCNH2

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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 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 (2 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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 KCNH2 1203/4885USP30 3037/4885TRPV3 3521/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 KCNH2 1203/4885USP30 3037/4885TRPV3 3521/4885

“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.