SCHEMBL1338046

SCHEMBL1338046

CC(NC(=O)OC(C)(C)C)c1cnc(Cl)cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AAK1 Q2M2I8 3/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
MAPK1 P28482 1/20 0.36
S1PR3 Q99500 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL594641 0.85 KMT2A (0.40) TRPA1KMT2ATSHRHSD17B10TP53
SCHEMBL594933 0.81 L3MBTL1 (0.36) KMT2ASMN1; SMN2LMNAMEN1MAPK1
SCHEMBL17069833 0.77 TRPA1 (0.41) TRPA1KMT2ATSHRHSD17B10TP53
SCHEMBL17069831 0.77 TRPA1 (0.41) TRPA1KMT2ATSHRHSD17B10TP53
SCHEMBL1581324 0.76 ATR (0.42) TRPA1AAK1
SCHEMBL29364468 0.76 ATR (0.42) TRPA1AAK1
SCHEMBL595925 0.75 TRPA1 (0.50) TRPA1KMT2ATSHRHSD17B10TP53
SCHEMBL15448429 0.74 TRPA1 (0.45) TRPA1KMT2ATSHRTP53SMN1; SMN2
SCHEMBL27774841 0.74 CYP3A4 (0.48) KMT2ATSHRSMN1; SMN2MEN1MAPK1
SCHEMBL10185094 0.74 TRPA1 (0.49) TRPA1KMT2ATSHRHSD17B10TP53

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 5 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 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
EP-2125794-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER Eli Lilly & Company (US) 2009-12-02 EP 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 TRPA1 2415/4885KMT2A 723/4885TSHR 3564/4885

“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.