SCHEMBL16185256

SCHEMBL16185256

O=C1c2c(OCc3ccccc3)c(=O)c3c(n2CCN1Cc1ccc(F)c(Cl)c1)COC31CCCCC1I

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 5/20 0.34
DRD4 P21917 1/20 0.34
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
PREP P48147 2/20 0.32
SCD O00767 1/20 0.32
TNIK Q9UKE5 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
APP P05067 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
GRM2 Q14416 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
SCHEMBL16185233 0.98 DRD4 (0.34) CLPPDRD4KCNH2LMNASMN1; SMN2
SCHEMBL16185257 0.82 CLPP (0.34) CLPPDRD4KCNH2LMNASMN1; SMN2
SCHEMBL16185236 0.82 LMNA (0.34) CLPPDRD4KCNH2LMNASMN1; SMN2
SCHEMBL16180761 0.79 SPHK2 (0.34) CLPPDRD4KCNH2LMNASMN1; SMN2
SCHEMBL16185234 0.75 DRD4 (0.38) CLPPDRD4KCNH2LMNASMN1; SMN2
SCHEMBL16185194 0.75 TSHR (0.35) CLPPTNIKAPPGRM2
SCHEMBL16180592 0.75 CLPP (0.38) CLPPDRD4KCNH2LMNASMN1; SMN2
SCHEMBL16180413 0.75 CLPP (0.36) CLPPDRD4KCNH2LMNASMN1; SMN2
SCHEMBL21981664 0.74 CLPP (0.38) CLPPDRD4KCNH2LMNASMN1; SMN2
SCHEMBL17547425 0.74 CLPP (0.38) CLPPDRD4KCNH2LMNASMN1; SMN2

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 8 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-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
US-20160060272-A1 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-03 US disclosed
WO-2014172188-A2 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-23 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-20160060272-A1 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS PNPO, TYMP, PDXK CLPP 2603/4885DRD4 1112/4885KCNH2 2585/4885

“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.