SCHEMBL388682

SCHEMBL388682

CC1(C)OB(c2cccc3cc(-c4nc(NCCN5CCNC5=O)ncc4F)sc23)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
SCN9A Q15858 2/20 0.38
CCND1 P24385 12/20 0.34
CDK6 Q00534 5/20 0.34
CDK4 P11802 7/20 0.33
BRAF P15056 2/20 0.33
RAF1 P04049 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 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
SCHEMBL2873640 0.92 IRAK1 (0.39) IRAK1IRAK4SCN9ABRAFRAF1
SCHEMBL2870590 0.92 IRAK1 (0.39) IRAK1IRAK4SCN9ABRAFRAF1
SCHEMBL2870826 0.87 BRAF (0.40) IRAK1IRAK4SCN9ACCND1CDK4
SCHEMBL388891 0.83 SCN9A (0.42) IRAK1IRAK4SCN9ACCND1CDK6
SCHEMBL593958 0.82 CCND1 (0.33) CCND1CDK6CDK4
SCHEMBL392624 0.80 SCN9A (0.41) IRAK1IRAK4SCN9ACCND1CDK4
SCHEMBL387910 0.79 SCN9A (0.38) IRAK1IRAK4SCN9ACCND1CDK6
SCHEMBL391680 0.79 SCN9A (0.38) IRAK1IRAK4SCN9ACCND1CDK6
SCHEMBL391908 0.79 SCN9A (0.41) IRAK1IRAK4SCN9ACCND1CDK4
SCHEMBL388963 0.79 BRAF (0.39) IRAK1IRAK4SCN9ACCND1CDK6

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 6 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
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-2125793-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-09-01 EP disclosed
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-04-01 US 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 (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-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER PLK1, BUB1B, BUB1 IRAK1 3552/4885IRAK4 3836/4885SCN9A 4282/4885
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER PLK1, AURKC, BUB1B IRAK1 3395/4885IRAK4 3665/4885SCN9A 3850/4885

“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.