SCHEMBL16629561

SCHEMBL16629561

CCc1nccc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.58
CTSS P25774 2/20 0.52
CTSK P43235 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM1A O60341 2/20 0.46
TLR8 Q9NR97 1/20 0.45
IDO1 P14902 1/20 0.44
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
MAPK14 Q16539 1/20 0.44
LMNA P02545 1/20 0.43
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
SYK P43405 1/20 0.43

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
SCHEMBL18014694 0.86 KMO (0.55) KMOCTSSCTSKKDM4EALDH1A1
SCHEMBL16618847 0.86 KMO (0.58) KMOCTSSCTSKKDM4EALDH1A1
SCHEMBL13273287 0.81 KMO (0.62) KMOCTSSCTSKKDM4EALDH1A1
SCHEMBL12844279 0.81 KMO (0.55) KMOKDM4ETLR8IDO1CCNT1
SCHEMBL17826991 0.78 KMO (0.55) KMOCTSSCTSKTLR8
SCHEMBL11469890 0.78 KMO (0.62) KMOCTSSCTSKKDM4EALDH1A1
SCHEMBL2788482 0.78 CCNT1 (0.63) KMOCTSSKDM4EALDH1A1KDM1A
SCHEMBL11467792 0.77 LMNA (0.58) KMOCTSSCTSKKDM4EALDH1A1
SCHEMBL21116043 0.77 CSNK1A1 (0.58) KMOCTSSKDM4EALDH1A1KDM1A
SCHEMBL2609384 0.77 KMO (0.58) KMOCTSSKDM4EALDH1A1KDM1A

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 4 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
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
EP-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP 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 KMO 2579/4885CTSS 113/4885CTSK 257/4885

“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.