SCHEMBL1908734

SCHEMBL1908734

COc1ccc(NC(=O)N[C@@H]2CCN(C)C2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
PABPC1 P11940 4/20 0.51
POLB P06746 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.46
CCKBR P32239 1/20 0.46
CCNC P24863 2/20 0.46
CDK8 P49336 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
USP2 O75604 1/20 0.46
PAK1 Q13153 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL4012719 0.84 EPHX2 (0.58) MEN1KMT2APABPC1POLBEPHX2
SCHEMBL4012338 0.81 EPHX2 (0.50) MEN1KMT2APABPC1POLBEPHX2
SCHEMBL1908720 0.81 USP30 (0.48) MAPK1CCNCCDK8EPHX2
SCHEMBL1908774 0.81 MAPK1 (0.46) MEN1KMT2AMAPK1PAK1EPHX2
SCHEMBL27778377 0.78 EPHX2 (0.57) EPHX2
SCHEMBL1911231 0.77 EPHX2 (0.62) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL358834 0.77 EPHX2 (0.66) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL354641 0.77 EPHX2 (0.66) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL359333 0.77 EPHX2 (0.66) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL24381758 0.76 MEN1 (0.67) MEN1KMT2ANPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 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 (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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 MEN1 1982/4885KMT2A 4393/4885PABPC1 2969/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 MEN1 3872/4885KMT2A 3320/4885PABPC1 1976/4885

“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.