SCHEMBL392665

SCHEMBL392665

Nc1cnc(F)cc1-c1cccc2cc(-c3ccnc(NCCN4CCNC4=O)n3)sc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.41
RAF1 P04049 7/20 0.40
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
SCN9A Q15858 8/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
IKBKG Q9Y6K9 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
SCHEMBL391684 0.91 BRAF (0.41) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL392198 0.91 BRAF (0.46) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL1338098 0.89 BRAF (0.40) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL391913 0.89 BRAF (0.42) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL392544 0.88 BRAF (0.42) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL1338107 0.88 BRAF (0.39) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL1336798 0.86 BRAF (0.38) BRAFRAF1
SCHEMBL27869904 0.84 BRAF (0.33) BRAFRAF1IKBKBCHUKIKBKG
SCHEMBL27784046 0.84 BRAF (0.38) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL393639 0.83 BRAF (0.40) BRAFRAF1IRAK1IRAK4SCN9A

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 13 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
EP-2125793-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER Eli Lilly & Company (US) 2009-12-02 EP claimed
WO-2008076704-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT' OF CANCER ELI LILLY AND COMPANY (US) 2008-06-26 WO 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
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
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 1075/4885RAF1 1127/4885IRAK1 3552/4885

“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.