SCHEMBL3375136

SCHEMBL3375136

Cn1nnnc1-c1ccc(C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.50
ABCC8 Q09428 1/20 0.50
KCNJ11 Q14654 1/20 0.50
KCNJ8 Q15842 1/20 0.50
BRD4 O60885 1/20 0.48
BRD9 Q9H8M2 1/20 0.48
MAP4K4 O95819 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
MKNK1 Q9BUB5 9/20 0.44
MKNK2 Q9HBH9 9/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
HSD11B1 P28845 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL24774988 0.85 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL14575819 0.85 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8SMN1; SMN2
SCHEMBL7466436 0.83 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8MAP4K4
SCHEMBL3377975 0.81 PARP1 (0.51) BRD4SMN1; SMN2PARP1PARP10HSD11B1
SCHEMBL3348705 0.78 SMN1; SMN2 (0.44) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL3073157 0.77 SMN1; SMN2 (0.46) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL3375138 0.77 SMN1; SMN2 (0.52) ABCC9ABCC8KCNJ11KCNJ8SMN1; SMN2
SCHEMBL1061454 0.77 SMN1; SMN2 (0.52) ABCC9ABCC8KCNJ11KCNJ8SMN1; SMN2
SCHEMBL5966721 0.76 SMN1; SMN2 (0.55) ABCC9ABCC8KCNJ11KCNJ8SMN1; SMN2
SCHEMBL29037233 0.76 MKNK1 (0.50) ABCC9ABCC8KCNJ11KCNJ8SMN1; SMN2

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-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US claimed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO claimed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US claimed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
EP-2262798-A2 SUBSTITUTED ENAMINOTHIOCARBONYL COMPOUNDS Bayer CropScience AG (DE) 2010-12-22 EP disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US disclosed
WO-2009121507-A2 SUBSTITUTED ENAMINOTHIOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-10-08 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-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 ABCC9 1220/4885ABCC8 1226/4885KCNJ11 2345/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 ABCC9 1220/4885ABCC8 1226/4885KCNJ11 2345/4885

“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.