SCHEMBL1338573

SCHEMBL1338573

O=C1NCCN1CCNc1ncc(F)c(-c2cc3cccc(-c4cc(F)ncc4OCCOC4CCCCO4)c3s2)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
BRAF P15056 5/20 0.32
RAF1 P04049 4/20 0.32
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
KDM4C Q9H3R0 1/20 0.31
IRAK1 P51617 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL595975 0.87 KDM4C (0.32) CDK4CCND1KDM4C
SCHEMBL1336738 0.86 SCN9A (0.39) SCN9ABRAFRAF1CCND1IRAK1
SCHEMBL391680 0.81 SCN9A (0.38) SCN9ABRAFRAF1CDK4CCND1
SCHEMBL394212 0.80 SCN9A (0.38) SCN9ABRAFRAF1CDK4CCND1
SCHEMBL1339001 0.80 SCN9A (0.37) SCN9ABRAFRAF1CDK4CCND1
SCHEMBL392585 0.80 SCN9A (0.39) SCN9ABRAFRAF1CDK4CCND1
SCHEMBL1337981 0.80 SCN9A (0.37) SCN9ABRAFRAF1CDK4CCND1
SCHEMBL1338497 0.79 SCN9A (0.36) SCN9ABRAFRAF1CDK4CCND1
SCHEMBL391784 0.79 SCN9A (0.37) SCN9ABRAFRAF1CDK4CCND1
SCHEMBL1338102 0.78 IRAK1 (0.38) SCN9ABRAFRAF1CDK4CCND1

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 3 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 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

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 3850/4885BRAF 1939/4885RAF1 1420/4885

“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.