SCHEMBL393734

SCHEMBL393734

CC(C)(C)C(=O)Nc1cnccc1-c1cccc2cc(-c3nc(NCCN4CCNC4=O)ncc3F)sc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.35
RAF1 P04049 3/20 0.35
SCN9A Q15858 2/20 0.34
IRAK1 P51617 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SYK P43405 1/20 0.33
CCND1 P24385 5/20 0.32
CDK6 Q00534 2/20 0.32
NTRK1 P04629 1/20 0.32
CDK4 P11802 3/20 0.32
PRKDC P78527 2/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
HPGDS O60760 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
SCHEMBL391901 0.88 SCN9A (0.38) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL387910 0.86 SCN9A (0.38) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL392100 0.85 BRAF (0.40) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL388897 0.85 SCN9A (0.38) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL393597 0.85 SCN9A (0.38) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL391710 0.84 SCN9A (0.38) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL1339260 0.84 SCN9A (0.37) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL392624 0.83 SCN9A (0.41) BRAFRAF1SCN9AIRAK1IRAK4
SCHEMBL1339059 0.81 ADORA2A (0.35) BRAFSCN9AIRAK1IRAK4CCND1
SCHEMBL391680 0.81 SCN9A (0.38) BRAFRAF1SCN9AIRAK1IRAK4

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-8101628-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
EP-2125793-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-09-01 EP disclosed
US-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-03-25 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-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER PLK1, BUB1B, BUB1 BRAF 1075/4885RAF1 1127/4885SCN9A 4282/4885

“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.