SCHEMBL4613867

SCHEMBL4613867

CCCS(=O)(=O)Nc1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.62
▸ LMNA P02545 2/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ MAPT P10636 1/20 0.57
▸ KMT2A Q03164 1/20 0.51
▸ NAMPT P43490 2/20 0.51
▸ PTGS1 P23219 2/20 0.48
▸ PTPN5 P54829 1/20 0.47
▸ PLK4 O00444 1/20 0.46
▸ DCLK1 O15075 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ DYRK3 O43781 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ ROS1 P08922 1/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ RPS6KB1 P23443 1/20 0.46

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
SCHEMBL4614381 0.89 HPGD (0.77) HPGDLMNAL3MBTL1MAPTKMT2A
SCHEMBL20372815 0.86 HPGD (0.68) HPGDLMNAL3MBTL1MAPTKMT2A
SCHEMBL21755120 0.86 HPGD (0.73) HPGDLMNAL3MBTL1MAPTKMT2A
SCHEMBL9202532 0.81 HPGD (0.50) HPGDLMNAL3MBTL1MAPTKMT2A
SCHEMBL255294 0.80 KEAP1 (0.54) HPGDLMNAMAPTKMT2APTGS1
SCHEMBL20098247 0.79 BRAF (0.56) LMNAKMT2ANAMPTPTGS1KDM4E
Hydrochloric Acid SCHEMBL31111910 0.78 KEAP1 (0.52) HPGDLMNAMAPTKMT2APTGS1
SCHEMBL10191923 0.78 CA1 (0.53) HPGDLMNAMAPTKMT2APTPN5
SCHEMBL7023386 0.78 HPGD (0.55) HPGDLMNAL3MBTL1MAPTKMT2A
SCHEMBL526840 0.77 BRAF (0.49) HPGDLMNAL3MBTL1MAPTNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-03 — — US disclosed
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2018-07-12 — — US disclosed
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 — — US disclosed
CN-100503677-C Catalyst for selective isocyanate dimerization BAYER MATERIALSCIENCE AG (DE) 2009-06-24 — — CN disclosed
EP-1656405-B1 NOVEL CATALYSTS FOR SELECTIVE ISOCYANATE DIMERISATION BAYER MATERIALSCIENCE AG (DE) 2008-03-12 — — EP disclosed
US-7317112-B2 Catalysts for selective isocyanate dimerization BAYER MATERIALSCIENCE AG (DE) 2008-01-08 — — US disclosed
CN-1832975-A Novel catalysts for selective isocyanate dimerization BAYER MATERIALSCIENCE AG (DE) 2006-09-13 — — CN disclosed
EP-1656405-A1 NOVEL CATALYSTS FOR SELECTIVE ISOCYANATE DIMERISATION Bayer MaterialScience AG (DE) 2006-05-17 — — EP disclosed
WO-2005016984-A1 NOVEL CATALYSTS FOR SELECTIVE ISOCYANATE DIMERISATION BAYER MATERIALSCIENCE AG (DE) 2005-02-24 — — WO disclosed
US-20050033006-A1 Sulfonamide ions as catalysts for dimerization BAYER MATERIALSCIENCE AG (DE) 2005-02-10 — — 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 (2 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-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors CYP3A5, CYP3A43, CYP3A4 HPGD 717/4885LMNA 2837/4885L3MBTL1 4672/4885
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS CYP3A5, CYP3A43, CYP3A4 HPGD 717/4885LMNA 2837/4885L3MBTL1 4672/4885

“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.

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