SCHEMBL1338871

SCHEMBL1338871

N#CCCNCc1cnc(F)cc1-c1cccc2cc(-c3nc(NCCN4CCNC4=O)ncc3F)sc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.35
TYK2 P29597 3/20 0.35
SCN9A Q15858 11/20 0.35
IRAK1 P51617 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
BRAF P15056 4/20 0.32
RAF1 P04049 3/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
JAK1 P23458 1/20 0.31

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
SCHEMBL12128790 0.94 SCN9A (0.35) JAK2TYK2SCN9AIRAK1IRAK4
SCHEMBL1339089 0.92 SCN9A (0.35) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL1338735 0.92 SCN9A (0.35) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL1339001 0.92 SCN9A (0.37) JAK2TYK2SCN9AIRAK1IRAK4
SCHEMBL1339273 0.91 SCN9A (0.36) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL1338773 0.90 SCN9A (0.35) SCN9AIRAK1IRAK4BRAFRAF1
SCHEMBL394212 0.89 SCN9A (0.38) JAK2TYK2SCN9AIRAK1IRAK4
SCHEMBL392585 0.89 SCN9A (0.39) JAK2TYK2SCN9AIRAK1IRAK4
SCHEMBL1337981 0.89 SCN9A (0.37) JAK2TYK2SCN9AIRAK1IRAK4
SCHEMBL4435734 0.88 SCN9A (0.37) JAK2TYK2SCN9AIRAK1IRAK4

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 4 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
EP-2125794-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-10-20 EP 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 JAK2 1281/4885TYK2 2378/4885SCN9A 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.