SCHEMBL17547429

SCHEMBL17547429

C=C1CCOCc2c1c(=O)c(O)c1n2CCN(Cc2ccc(F)c(Cl)c2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 3/20 0.35
KCNH2 Q12809 1/20 0.33
TNIK Q9UKE5 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
UGCG Q16739 1/20 0.33
HTR2A P28223 1/20 0.32
GRM2 Q14416 1/20 0.32
DRD4 P21917 1/20 0.32
AKR1B1 P15121 1/20 0.32
RAD51 Q06609 1/20 0.32
PDE1B Q01064 1/20 0.31

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
SCHEMBL16185238 0.93 CLPP (0.34) CLPPKCNH2TNIKPIK3CDPIK3CA
SCHEMBL16185316 0.85 CLPP (0.38) CLPPKCNH2TNIKPIK3CDPIK3CA
SCHEMBL16185325 0.83 GRM2 (0.34) CLPPKCNH2TNIKPIK3CDPIK3CA
SCHEMBL16185209 0.83 GRM2 (0.34) CLPPKCNH2TNIKPIK3CDPIK3CA
SCHEMBL17537007 0.83 GRM2 (0.34) CLPPKCNH2TNIKPIK3CDPIK3CA
SCHEMBL16185204 0.81 ENPP2 (0.34) CLPPKCNH2
SCHEMBL16185213 0.80 CLPP (0.33) CLPPKCNH2
SCHEMBL22030682 0.80 CLPP (0.34) CLPPKCNH2
SCHEMBL16185317 0.80 CLPP (0.35) CLPPKCNH2TNIKPIK3CDPIK3CA
SCHEMBL16185216 0.79 GRM2 (0.38) CLPPKCNH2TNIKPIK3CDPIK3CA

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-2986291-B1 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2020-05-27 EP disclosed
US-9493479-B2 Substituted pyrido[1,2-a]pyrazines as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-9493479-B2 Substituted pyrido[1,2-a]pyrazines as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-20160060272-A1 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-03 US disclosed
US-20160060272-A1 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-03 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-20160060272-A1 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS PNPO, TYMP, PDXK CLPP 2603/4885KCNH2 2585/4885TNIK 1114/4885

“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.