Sugi Predict

Sugi Predict / Compounds / SCHEMBL16185259

SCHEMBL16185259

SCHEMBL16185259

Cc1cn(C)c(=O)c2c1c(=O)c(OCc1ccccc1)c1n2CCN(Cc2ccc(F)c(Cl)c2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 3/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ SCD O00767 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ CLPP Q16740 2/20 0.35
▸ MCL1 Q07820 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ P2RX7 Q99572 2/20 0.33
▸ FSCN1 Q16658 1/20 0.33
▸ BCL2 P10415 1/20 0.33

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
SCHEMBL17547431 0.86 SCD (0.38) GRM2DRD4SCDSMN1; SMN2LMNA
SCHEMBL16185261 0.83 MAOB (0.36) GRM2MCL1KCNH2P2RX7FSCN1
SCHEMBL4746430 0.81 SMN1; SMN2 (0.46) GRM2SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL4746270 0.79 SCD (0.40) DRD4SCDSMN1; SMN2ALDH1A1HPGD
SCHEMBL16185329 0.78 DRD4 (0.38) GRM2DRD4SCDSMN1; SMN2LMNA
SCHEMBL16185298 0.77 LMNA (0.37) GRM2DRD4SCDSMN1; SMN2LMNA
SCHEMBL16180535 0.77 CLPP (0.37) GRM2DRD4SCDSMN1; SMN2LMNA
SCHEMBL17536999 0.77 LMNA (0.37) GRM2DRD4SCDSMN1; SMN2LMNA
SCHEMBL16180413 0.77 CLPP (0.36) GRM2DRD4SCDSMN1; SMN2LMNA
SCHEMBL16180509 0.77 SCD (0.39) GRM2DRD4SCDSMN1; SMN2LMNA

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
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-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 GRM2 4171/4885DRD4 1112/4885SCD 2858/4885

“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.