SCHEMBL3858157

SCHEMBL3858157

CC(C)(C)C(=O)Nc1cc(Cl)nc(NC(=O)C(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.39
F2 P00734 1/20 0.39
HSD17B10 Q99714 1/20 0.39
S1PR2 O95136 1/20 0.38
KDR P35968 5/20 0.38
PDGFRB P09619 1/20 0.38
EGFR P00533 2/20 0.37
CASP1 P29466 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6107053 0.86 ADORA1 (0.41) ADORA1KMT2AMEN1HTTL3MBTL1
SCHEMBL14667356 0.83 ADORA1 (0.46) ADORA1KMT2AMEN1HTTL3MBTL1
SCHEMBL9948446 0.83 KMT2A (0.52) ADORA1KMT2AMEN1HTTL3MBTL1
SCHEMBL2033687 0.80 HTT (0.51) ADORA1KMT2AMEN1HTTL3MBTL1
SCHEMBL10851267 0.77 S1PR2 (0.41) KMT2AMEN1HTTCYP1A2HSD17B10
SCHEMBL16316421 0.75 ADORA1 (0.56) ADORA1KMT2AMEN1L3MBTL1POLB
SCHEMBL2587336 0.75 S1PR2 (0.62) ADORA1KMT2AMEN1HTTL3MBTL1
SCHEMBL10847312 0.75 S1PR2 (0.42) KMT2AMEN1HTTCYP1A2CYP3A4
SCHEMBL25707106 0.75 L3MBTL1 (0.47) ADORA1KMT2AMEN1HTTL3MBTL1
SCHEMBL10857111 0.72 KMT2A (0.49) KMT2AMEN1HTTPOLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
US-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
US-7153862-B2 αv integrin receptor antagonists MERCK & CO., INC. (US) 2006-12-26 US disclosed
US-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2006-11-09 US disclosed
EP-1656387-A2 NUCLEOBASE PHOSPHONATE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2006-05-17 EP disclosed
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2005-03-17 US disclosed
WO-2005012324-A2 NUCLEOBASE PHOSPHONATE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2005-02-10 WO disclosed
US-6693101-B2 ALKANOIC ACID DERIVATIVE; INTEGRIN RECEPTOR ANTAGONIST MERCK & CO., INC. 2004-02-17 US disclosed
US-20040019037-A1 Alpha V integrin receptor antagonists ASKEW BEN C (US) 2004-01-29 US disclosed
EP-1254116-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-04-23 EP disclosed
EP-1254116-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2002-11-06 EP disclosed
US-20010053853-A1 Alpha V integrin receptor antagonists MERCK & CO., INC. 2001-12-20 US disclosed
WO-2001053262-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2001-07-26 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 (4 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-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 ADORA1 280/4885KMT2A 1246/4885MEN1 3605/4885
US-20040019037-A1 Alpha V integrin receptor antagonists ITGAV, ADGRE5, ITGA5 ADORA1 170/4885KMT2A 3784/4885MEN1 2715/4885
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 ADORA1 280/4885KMT2A 1246/4885MEN1 3605/4885
US-20010053853-A1 Alpha V integrin receptor antagonists ITGAV, ADGRE5, ITGA5 ADORA1 170/4885KMT2A 3784/4885MEN1 2715/4885

“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.