SCHEMBL388918

SCHEMBL388918

CC(C)(C)OC(=O)Nc1cnc(F)cc1-c1cccc2cc(-c3ccnc(Cl)n3)sc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 11/20 0.38
METAP1 P53582 1/20 0.34
LCK P06239 2/20 0.33
ATR Q13535 1/20 0.33
SYK P43405 1/20 0.33
CDK9 P50750 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
P2RX3 P56373 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
SCHEMBL393639 0.79 BRAF (0.40)
SCHEMBL2926041 0.78 METAP1 (0.42) METAP1LCKSYKHSP90AA1HSP90AB1
SCHEMBL1339444 0.74 AAK1 (0.34) AAK1SYK
SCHEMBL20006053 0.70 BRAF (0.52) AAK1METAP1LCKATR
SCHEMBL30596126 0.70 BRAF (0.52) AAK1METAP1LCKATR
SCHEMBL30365682 0.68 ADORA3 (0.41) AAK1METAP1SYK
SCHEMBL1336736 0.68 JAK2 (0.36)
SCHEMBL27449849 0.68 AAK1 (0.45) AAK1METAP1LCKATR
SCHEMBL25297301 0.68 ATR (0.41) AAK1METAP1LCKATRSYK
SCHEMBL30276680 0.68 ATR (0.41) AAK1METAP1LCKATRSYK

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 3 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 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

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 AAK1 826/4885METAP1 1115/4885LCK 1091/4885

“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.