SCHEMBL1336738

SCHEMBL1336738

O=C1NCCN1CCNc1ncc(F)c(-c2cc3cccc(-c4cc(F)ncc4OCCO)c3s2)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.39
IRAK1 P51617 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
BRAF P15056 5/20 0.35
RAF1 P04049 4/20 0.35
SCN5A Q14524 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
CCND1 P24385 1/20 0.31
CDK6 Q00534 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
SCHEMBL392585 0.88 SCN9A (0.39) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL1338735 0.87 SCN9A (0.35) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL391680 0.87 SCN9A (0.38) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL392409 0.87 BRAF (0.40) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL1338573 0.86 SCN9A (0.33) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL394212 0.86 SCN9A (0.38) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL1339001 0.85 SCN9A (0.37) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL1337981 0.85 SCN9A (0.37) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL391908 0.85 SCN9A (0.41) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL392624 0.85 SCN9A (0.41) SCN9AIRAK1IRAK4BRAFRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063212-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2011-11-22 US claimed
EP-2125794-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-10-20 EP claimed
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-04-01 US claimed
US-8063212-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
US-8063212-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
US-8063212-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
EP-2125794-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-10-20 EP disclosed
EP-2125794-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-10-20 EP disclosed
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-04-01 US disclosed
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-04-01 US disclosed
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-04-01 US disclosed
WO-2008076705-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2008-06-26 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-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER PLK1, AURKC, BUB1B SCN9A 3850/4885IRAK1 3395/4885IRAK4 3665/4885

“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.