SCHEMBL2810029

SCHEMBL2810029

CN(C)c1nc(Cl)nc2c1CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE10A Q9Y233 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
MTOR P42345 1/20 0.36
C5AR1 P21730 1/20 0.35
POLB P06746 1/20 0.34
ESR2 Q92731 1/20 0.34
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
MAPT P10636 1/20 0.33
MKNK1 Q9BUB5 4/20 0.33
TLR9 Q9NR96 1/20 0.32
NR1H2 P55055 1/20 0.32
HPGD P15428 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
SCHEMBL31246448 0.89 PARP1 (0.45) MEN1KMT2APDE10APARP1TNKS2
SCHEMBL443240 0.84 POLB (0.40) MEN1KMT2APARP1TNKS2PARP2
SCHEMBL22165616 0.83 C5AR1 (0.39) MEN1KMT2APARP1TNKS2PARP2
SCHEMBL20042676 0.81 DDB1 (0.38) MEN1KMT2APDE10APARP1TNKS2
SCHEMBL22165322 0.81 C5AR1 (0.39) MEN1KMT2APARP1TNKS2PARP2
SCHEMBL19358215 0.80 MTOR (0.46) MEN1KMT2APDE10APARP1TNKS2
SCHEMBL31516224 0.80 MTOR (0.46) MEN1KMT2APDE10APARP1TNKS2
SCHEMBL20042815 0.80 MTOR (0.46) MEN1KMT2APDE10APARP1TNKS2
SCHEMBL31016583 0.80 MKNK1 (0.38) MEN1KMT2APARP1TNKS2PARP2
SCHEMBL31016609 0.79 DDB1 (0.38) MEN1KMT2APARP1TNKS2PARP2

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-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 MEN1 4723/4885KMT2A 3834/4885PDE10A 3798/4885

“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.