SCHEMBL16629554

SCHEMBL16629554

Cn1ccc2cc(C(F)(F)F)cc(F)c21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
CCNE2 O96020 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
PTGER3 P43115 1/20 0.34
PDE2A O00408 2/20 0.34
KCNH2 Q12809 1/20 0.33
HSD11B1 P28845 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
PRKCI P41743 1/20 0.31
MPL P40238 1/20 0.30
IDO1 P14902 1/20 0.30
KIF11 P52732 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL18876125 0.86 KCNH2 (0.40) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL18014684 0.77 KDM4E (0.38) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL18876110 0.71 PTGER3 (0.34) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL18876128 0.71 PTGER3 (0.34) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL17452813 0.71 CYP1A2 (0.39) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL29599343 0.70 PRKCI (0.53) KCNH2HSD11B1HTR1DPRKCIKIF11
SCHEMBL16205315 0.70 PRKCI (0.53) KCNH2HSD11B1HTR1DPRKCIKIF11
SCHEMBL16729577 0.68 PSEN1 (0.38) PDE2AHSD11B1KIF11
SCHEMBL29989147 0.67 CDK4 (0.41) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL2625811 0.67 CDK4 (0.41) CDK4CCND1CCNE2CCNE1CDK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 WO 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 CDK4 652/4885CCND1 2218/4885CCNE2 1840/4885

“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.