SCHEMBL387910

SCHEMBL387910

Cc1cnccc1-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 0.38
IRAK4 Q9NWZ3 1/20 0.38
BRAF P15056 4/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
RAF1 P04049 3/20 0.33
CCND1 P24385 5/20 0.33
CDK6 Q00534 3/20 0.33
CDK4 P11802 2/20 0.33
CCNT1 O60563 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CDK7 P50613 2/20 0.33
CDK9 P50750 2/20 0.33
CCNH P51946 2/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 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
SCHEMBL391680 0.91 SCN9A (0.38) SCN9AIRAK1IRAK4BRAFADORA2A
SCHEMBL388897 0.91 SCN9A (0.38) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL392100 0.91 BRAF (0.40) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL391901 0.91 SCN9A (0.38) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL393597 0.90 SCN9A (0.38) SCN9AIRAK1IRAK4BRAFADORA2A
SCHEMBL391710 0.90 SCN9A (0.38) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL1339260 0.89 SCN9A (0.37) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL392624 0.89 SCN9A (0.41) SCN9AIRAK1IRAK4BRAFADORA2A
SCHEMBL388901 0.87 IRAK1 (0.38) SCN9AIRAK1IRAK4BRAFADORA2A
SCHEMBL387938 0.87 SCN9A (0.38) SCN9AIRAK1IRAK4BRAFADORA2A

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 8 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
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

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.