SCHEMBL5736718

SCHEMBL5736718

CCCCCC(F)(F)C#N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
TSHR P16473 2/20 0.36
FAAH O00519 8/20 0.33
THRB P10828 1/20 0.33
CES1 P23141 5/20 0.32
FDPS P14324 4/20 0.32
GGPS1 O95749 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL25802040 0.98 CES2 (0.42) CES2LPAR1LPAR3TSHRFAAH
SCHEMBL12886418 0.81
SCHEMBL1326585 0.79 TSHR (0.39) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL23700088 0.77 TSHR (0.42) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL23700067 0.77 TSHR (0.42) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL23700072 0.77 TSHR (0.42) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL16672477 0.77 TSHR (0.42) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL9280150 0.76 TSHR (0.41) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL834209 0.75 CES2 (0.43) CES2LPAR1LPAR3FAAHCES1
SCHEMBL11873392 0.74 TSHR (0.39) CES2LPAR1LPAR3TSHRTHRB

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
EP-1363912-B1 SUBSTITUTED IMIDAZOTRIAZINONES BAYER HEALTHCARE AG (DE) 2006-05-24 EP disclosed
US-6998402-B2 Substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2006-02-14 US disclosed
EP-1347978-B1 NOVEL SUBSTITUTED IMIDAZOTRIAZINONES AS PDE II-INHIBITORS BAYER HEALTHCARE AG (DE) 2005-08-31 EP disclosed
US-20050009822-A1 Novel substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-01-13 US disclosed
EP-1363912-A1 NOVEL SUBSTITUTED IMIDAZOTRIAZINONES Bayer Aktiengesellschaft (DE) 2003-11-26 EP disclosed
EP-1347978-A1 NOVEL SUBSTITUTED IMIDAZOTRIAZINONES AS PDE II-INHIBITORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-6573263-B2 For improving perception, concentration power, learning power and/ or memory power BAYER AKTIENGESELLSCHAFT (DE) 2003-06-03 US disclosed
US-20020198377-A1 Substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2002-12-26 US disclosed
WO-2002068423-A1 NOVEL SUBSTITUTED IMIDAZOTRIAZINONES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-06 WO disclosed
WO-2002050078-A1 NOVEL SUBSTITUTED IMIDAZOTRIAZINONES AS PDE II-INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2002-06-27 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 (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-20050009822-A1 Novel substituted imidazotriazinones CAMK4, CALM1, IPO4 CES2 2443/4885LPAR1 3286/4885LPAR3 2995/4885
US-20020198377-A1 Substituted imidazotriazinones CAMK4, ITPR1, KCNJ5 CES2 3164/4885LPAR1 2372/4885LPAR3 2700/4885

“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.