SCHEMBL1336802

SCHEMBL1336802

CNC(C)c1cnc(F)cc1-c1cccc2cc(-c3nc(NCCN4CCNC4=O)ncc3F)sc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.36
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CCND1 P24385 7/20 0.35
CDK6 Q00534 4/20 0.35
CDK4 P11802 3/20 0.34
BRAF P15056 5/20 0.33
RAF1 P04049 4/20 0.33
JAK1 P23458 2/20 0.30
IDH1 O75874 1/20 0.30

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
SCHEMBL1336801 1.00 SCN9A (0.36) SCN9AIRAK1IRAK4CCND1CDK6
SCHEMBL1337111 1.00 SCN9A (0.36) SCN9AIRAK1IRAK4CCND1CDK6
SCHEMBL1339252 0.93 CCND1 (0.35) SCN9AIRAK1IRAK4CCND1CDK6
SCHEMBL1339060 0.93 CCND1 (0.35) SCN9AIRAK1IRAK4CCND1CDK6
SCHEMBL1339073 0.93 CCND1 (0.35) SCN9AIRAK1IRAK4CCND1CDK6
SCHEMBL1339354 0.92 IRAK1 (0.38) SCN9AIRAK1IRAK4CCND1CDK6
SCHEMBL1339082 0.92 IRAK1 (0.38) SCN9AIRAK1IRAK4CCND1CDK6
SCHEMBL1338102 0.92 IRAK1 (0.38) SCN9AIRAK1IRAK4CCND1CDK6
SCHEMBL1339001 0.89 SCN9A (0.37) SCN9AIRAK1IRAK4CCND1CDK6
SCHEMBL391680 0.89 SCN9A (0.38) SCN9AIRAK1IRAK4CCND1CDK6

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 6 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
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

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 SCN9A 3850/4885IRAK1 3395/4885IRAK4 3665/4885

“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.