SCHEMBL392168

SCHEMBL392168

O=C1NCCN1CCNc1ncc(F)c(-c2cc3cccc(-c4ccnc(Cl)c4)c3s2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.40
SCN9A Q15858 8/20 0.40
RAF1 P04049 4/20 0.38
IRAK1 P51617 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 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
SCHEMBL394128 0.93 BRAF (0.42) BRAFSCN9ARAF1IRAK1IRAK4
SCHEMBL391908 0.92 SCN9A (0.41) BRAFSCN9ARAF1IRAK1IRAK4
SCHEMBL388963 0.91 BRAF (0.39) BRAFSCN9ARAF1IRAK1IRAK4
SCHEMBL392624 0.91 SCN9A (0.41) BRAFSCN9ARAF1IRAK1IRAK4
SCHEMBL393602 0.89 BRAF (0.40) BRAFSCN9ARAF1IRAK1IRAK4
SCHEMBL389292 0.87 BRAF (0.46) BRAFSCN9ARAF1IRAK1IRAK4
SCHEMBL392409 0.86 BRAF (0.40) BRAFSCN9ARAF1IRAK1IRAK4
SCHEMBL392100 0.86 BRAF (0.40) BRAFSCN9ARAF1IRAK1IRAK4
SCHEMBL4441826 0.86 BRAF (0.38) BRAFSCN9ARAF1IRAK1IRAK4
SCHEMBL1339476 0.85 IRAK1 (0.37) BRAFSCN9ARAF1IRAK1IRAK4

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 9 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 claimed
EP-2125793-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-09-01 EP claimed
US-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-03-25 US claimed
US-8101628-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
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
US-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-03-25 US disclosed
WO-2008076704-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-20100076001-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER PLK1, BUB1B, BUB1 BRAF 1075/4885SCN9A 4282/4885RAF1 1127/4885

“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.