SCHEMBL393624

SCHEMBL393624

CNc1cnccc1-c1cccc2cc(-c3ccnc(NCCN4CCNC4=O)n3)sc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.42
IRAK1 P51617 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
RAF1 P04049 7/20 0.37
CDK2 P24941 2/20 0.36
CLK1 P49759 1/20 0.36
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK9 P50750 1/20 0.34
IKBKB O14920 2/20 0.34
CHUK O15111 2/20 0.34
IKBKG Q9Y6K9 2/20 0.34
MKNK1 Q9BUB5 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ERN1 O75460 1/20 0.33
ABL1 P00519 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT3 P36888 1/20 0.33
MAPK8 P45983 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
SCHEMBL391913 0.90 BRAF (0.42) BRAFIRAK1IRAK4RAF1CDK2
SCHEMBL1336964 0.88 BRAF (0.41) BRAFIRAK1IRAK4RAF1CDK2
SCHEMBL1338098 0.84 BRAF (0.40) BRAFIRAK1IRAK4RAF1MKNK1
SCHEMBL391684 0.84 BRAF (0.41) BRAFIRAK1IRAK4RAF1MKNK1
SCHEMBL392544 0.83 BRAF (0.42) BRAFIRAK1IRAK4RAF1IKBKB
SCHEMBL392198 0.82 BRAF (0.46) BRAFIRAK1IRAK4RAF1PDCD1
SCHEMBL392665 0.82 BRAF (0.41) BRAFIRAK1IRAK4RAF1IKBKB
SCHEMBL2879156 0.82 BRAF (0.45) BRAFIRAK1IRAK4RAF1IKBKB
SCHEMBL389292 0.82 BRAF (0.46) BRAFIRAK1IRAK4RAF1IKBKB
SCHEMBL1338107 0.81 BRAF (0.39) BRAFIRAK1IRAK4RAF1IKBKB

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 1075/4885IRAK1 3552/4885IRAK4 3836/4885

“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.