SCHEMBL388901

SCHEMBL388901

Cc1cnc(NCCN2CCNC2=O)nc1-c1cc2cccc(-c3ccncc3N)c2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
BRAF P15056 4/20 0.35
SCN9A Q15858 2/20 0.34
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SLC8A1 P32418 2/20 0.32
JAK2 O60674 2/20 0.32
TYK2 P29597 2/20 0.32
JAK1 P23458 1/20 0.32
STAT3 P40763 1/20 0.32
JAK3 P52333 1/20 0.32
RAF1 P04049 3/20 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
SCHEMBL388897 0.92 SCN9A (0.38) IRAK1IRAK4BRAFSCN9ACCNT1
SCHEMBL391330 0.89 IRAK1 (0.41) IRAK1IRAK4BRAFSCN9ACCNT1
SCHEMBL387910 0.87 SCN9A (0.38) IRAK1IRAK4BRAFSCN9ACCNT1
SCHEMBL391913 0.87 BRAF (0.42) IRAK1IRAK4BRAFSCN9ACDK2
SCHEMBL387938 0.86 SCN9A (0.38) IRAK1IRAK4BRAFSCN9ACCNT1
SCHEMBL2923633 0.84 IRAK1 (0.40) IRAK1IRAK4BRAFSCN9ACCNT1
SCHEMBL392407 0.84 BRAF (0.38) IRAK1IRAK4BRAFSCN9AADORA2A
SCHEMBL1340224 0.83 SCN9A (0.36) IRAK1IRAK4BRAFSCN9ACCNT1
SCHEMBL392100 0.82 BRAF (0.40) IRAK1IRAK4BRAFSCN9AJAK2
SCHEMBL391901 0.82 SCN9A (0.38) IRAK1IRAK4BRAFSCN9AKDM4E

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 11 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
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 IRAK1 3552/4885IRAK4 3836/4885BRAF 1075/4885

“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.