SCHEMBL594641

SCHEMBL594641

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
TRPA1 O75762 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AAK1 Q2M2I8 3/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
MAPK1 P28482 1/20 0.35
S1PR3 Q99500 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLS O94925 2/20 0.34

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
SCHEMBL1338046 0.85 TRPA1 (0.45) KMT2ATRPA1TSHRHSD17B10AAK1
SCHEMBL595185 0.80 L3MBTL1 (0.34) KMT2AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL594117 0.77 CYP17A1 (0.40) AAK1CA1CA2
SCHEMBL1337974 0.76 FOLH1 (0.45) KMT2ATRPA1TSHRHSD17B10AAK1
SCHEMBL593784 0.75 AAK1 (0.33) AAK1
SCHEMBL593785 0.75 AAK1 (0.33) AAK1
SCHEMBL595627 0.75 AAK1 (0.33) AAK1
SCHEMBL30006955 0.75 CTSK (0.38) KMT2ATRPA1TSHRHSD17B10CA1
SCHEMBL29163981 0.75 CTSK (0.38) KMT2ATRPA1TSHRHSD17B10CA1
SCHEMBL27783161 0.74 SCN9A (0.34) AAK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 US disclosed
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-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 US disclosed
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-04-01 US disclosed
EP-2155735-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
EP-2125794-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER Eli Lilly & Company (US) 2009-12-02 EP disclosed
WO-2008144222-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 WO 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 (2 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 KMT2A 723/4885TRPA1 2415/4885TSHR 3564/4885
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP KMT2A 1133/4885TRPA1 3529/4885TSHR 3068/4885

“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.