SCHEMBL393597

SCHEMBL393597

COc1cnccc1-c1cccc2cc(-c3nc(NCCN4CCNC4=O)ncc3F)sc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.38
IRAK1 P51617 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
HPGDS O60760 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
FGFR1 P11362 3/20 0.34
BRAF P15056 2/20 0.34
TNK2 Q07912 1/20 0.33
FGFR3 P22607 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
GSK3B P49841 1/20 0.33
CSNK1G2 P78368 1/20 0.33
CDK9 P50750 3/20 0.32
CDK2 P24941 2/20 0.32
RAF1 P04049 1/20 0.32
CCNT1 O60563 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
SCHEMBL391710 0.93 SCN9A (0.38) SCN9AIRAK1IRAK4HPGDSPDCD1
SCHEMBL387910 0.90 SCN9A (0.38) SCN9AIRAK1IRAK4PDCD1CD274
SCHEMBL391901 0.89 SCN9A (0.38) SCN9AIRAK1IRAK4HPGDSBRAF
SCHEMBL392100 0.89 BRAF (0.40) SCN9AIRAK1IRAK4PDCD1CD274
SCHEMBL388897 0.89 SCN9A (0.38) SCN9AIRAK1IRAK4BRAFCDK9
SCHEMBL1339260 0.87 SCN9A (0.37) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL392624 0.87 SCN9A (0.41) SCN9AIRAK1IRAK4BRAFADORA2A
SCHEMBL27762224 0.85 CNR2 (0.32) FGFR1TNK2CDK9CDK2CCNT1
SCHEMBL393734 0.85 BRAF (0.35) SCN9AIRAK1IRAK4HPGDSBRAF
SCHEMBL1339059 0.84 ADORA2A (0.35) SCN9AIRAK1IRAK4FGFR1BRAF

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 SCN9A 4282/4885IRAK1 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.