SCHEMBL1339059

SCHEMBL1339059

O=C1NCCN1CCNc1ncc(F)c(-c2cc3cccc(-c4ccncc4CN4CCOCC4)c3s2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
SCN9A Q15858 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IRAK1 P51617 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34

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
SCHEMBL1336777 0.92 ADORA2A (0.35) ADORA2AADORA1SCN9ACCNT1CDK9
SCHEMBL392100 0.88 BRAF (0.40) SCN9AIRAK1IRAK4FGFR1SRC
SCHEMBL391901 0.86 SCN9A (0.38) SCN9AIRAK1IRAK4CDK4CCND1
SCHEMBL387910 0.86 SCN9A (0.38) ADORA2AADORA1SCN9ACCNT1CDK9
SCHEMBL388897 0.86 SCN9A (0.38) SCN9ACCNT1CDK9LMNAIRAK1
SCHEMBL1338867 0.86 SCN9A (0.36) SCN9AIRAK1IRAK4FGFR1CDK4
SCHEMBL1338497 0.86 SCN9A (0.36) SCN9AIRAK1IRAK4FGFR1CDK4
SCHEMBL1339260 0.85 SCN9A (0.37) SCN9AIRAK1IRAK4CDK4CCND1
SCHEMBL392624 0.84 SCN9A (0.41) ADORA2AADORA1SCN9AIRAK1IRAK4
SCHEMBL393597 0.84 SCN9A (0.38) ADORA2AADORA1SCN9ACCNT1CDK9

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-8063212-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2011-11-22 US claimed
EP-2125794-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-10-20 EP claimed
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-04-01 US claimed
US-8063212-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
US-8063212-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
US-8063212-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
EP-2125794-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-10-20 EP disclosed
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-04-01 US disclosed
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-04-01 US disclosed
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-04-01 US disclosed
WO-2008076705-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-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER PLK1, AURKC, BUB1B ADORA2A 1800/4885ADORA1 1103/4885SCN9A 3850/4885

“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.