SCHEMBL10178027

SCHEMBL10178027

COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 1.00
ADORA2B P29275 4/20 0.72
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
LMNA P02545 2/20 0.63
RXFP1 Q9HBX9 4/20 0.63
TP53 P04637 2/20 0.63
ALOX15 P16050 1/20 0.63
MAPK1 P28482 1/20 0.62
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 1/20 0.60
THRB P10828 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CYP1A2 P05177 1/20 0.60

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
SCHEMBL10850696 0.90 SMN1; SMN2 (0.82) SMN1; SMN2ADORA2BKMT2AMEN1LMNA
SCHEMBL3860920 0.88 SMN1; SMN2 (0.78) SMN1; SMN2ADORA2BKMT2AMEN1LMNA
SCHEMBL12260494 0.86 SMN1; SMN2 (0.76) SMN1; SMN2ADORA2BKMT2AMEN1LMNA
SCHEMBL10850700 0.86 SMN1; SMN2 (0.76) SMN1; SMN2ADORA2BKMT2AMEN1LMNA
SCHEMBL29661994 0.85 SMN1; SMN2 (0.74) SMN1; SMN2ADORA2BKMT2AMEN1LMNA
SCHEMBL22521953 0.85 SMN1; SMN2 (0.74) SMN1; SMN2ADORA2BKMT2AMEN1LMNA
Acefylline SCHEMBL308514 0.84 ADORA2B (1.00) SMN1; SMN2ADORA2BKMT2AMEN1LMNA
Acefylline SCHEMBL18191994 0.84 ADORA2B (1.00) SMN1; SMN2ADORA2BKMT2AMEN1LMNA
SCHEMBL11531219 0.84 ADORA2B (0.78) SMN1; SMN2ADORA2BKMT2AMEN1LMNA
SCHEMBL15375895 0.83 KMT2A (0.74) SMN1; SMN2ADORA2BKMT2AMEN1LMNA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 US disclosed
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 US disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 EP disclosed
US-9296691-B2 Inhibitors of p75 receptor and their uses HORACIO URI SARAGOVI (CA) 2016-03-29 US disclosed
US-9296691-B2 Inhibitors of p75 receptor and their uses HORACIO URI SARAGOVI (CA) 2016-03-29 US disclosed
US-20130310404-A1 INHIBITORS OF P75 RECEPTOR AND THEIR USES SARAGOVI, HORACIO URI (CA) 2013-11-21 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 US disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
WO-2010036821-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS HYDRA BIOSCIENCES, INC. (US) 2010-04-01 WO disclosed
WO-2009140517-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2009-11-19 WO disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 US disclosed
WO-2009002933-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. (US) 2008-12-31 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 (7 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 SMN1; SMN2 1895/4885ADORA2B 1599/4885KMT2A 2953/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 SMN1; SMN2 129/4885ADORA2B 176/4885KMT2A 4200/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 SMN1; SMN2 129/4885ADORA2B 176/4885KMT2A 4200/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 SMN1; SMN2 914/4885ADORA2B 97/4885KMT2A 3764/4885
US-20130310404-A1 INHIBITORS OF P75 RECEPTOR AND THEIR USES NTRK2, NGFR, NGF SMN1; SMN2 32/4885ADORA2B 2163/4885KMT2A 4228/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 SMN1; SMN2 1895/4885ADORA2B 1599/4885KMT2A 2953/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 SMN1; SMN2 129/4885ADORA2B 176/4885KMT2A 4200/4885

“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.