SCHEMBL389292

SCHEMBL389292

O=C1NCCN1CCNc1nccc(-c2cc3cccc(-c4ccnc(Cl)c4)c3s2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.46
RAF1 P04049 6/20 0.43
IRAK1 P51617 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
SCN9A Q15858 7/20 0.38
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
IKBKG Q9Y6K9 1/20 0.34
EIF2AK2 P19525 1/20 0.33
EGFR P00533 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL391065 0.88 BRAF (0.42) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL394128 0.88 BRAF (0.42) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL392168 0.87 BRAF (0.40) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL392198 0.84 BRAF (0.46) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL2879156 0.84 BRAF (0.45) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL27784049 0.83 BRAF (0.33) BRAFRAF1IKBKBCHUKIKBKG
SCHEMBL392544 0.82 BRAF (0.42) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL391913 0.82 BRAF (0.42) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL393624 0.82 BRAF (0.42) BRAFRAF1IRAK1IRAK4SCN9A
SCHEMBL1336964 0.81 BRAF (0.41) 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 12 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-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
EP-2125793-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER Eli Lilly & Company (US) 2009-12-02 EP disclosed
WO-2008076704-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT' OF CANCER ELI LILLY AND COMPANY (US) 2008-06-26 WO 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.