SCHEMBL3378014

SCHEMBL3378014

NC(=O)c1ccc(-c2ncn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.46
MKNK2 Q9HBH9 7/20 0.46
ENPP2 Q13822 1/20 0.45
XDH P47989 1/20 0.43
PIM1 P11309 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
IDO1 P14902 1/20 0.41
RIPK1 Q13546 2/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CHEK2 O96017 1/20 0.40
MAPK1 P28482 2/20 0.40
MAP2K4 P45985 1/20 0.40

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
SCHEMBL14576664 0.84 ALDH1A1 (0.54) ENPP2XDHCSNK2A1IDO1MAP2K4
Water SCHEMBL17371694 0.82 ALDH1A1 (0.53) ENPP2XDHCSNK2A1IDO1MAP2K4
SCHEMBL5383013 0.81 MAP2K4 (0.63) MKNK1ENPP2PIM1MAPK1MAP2K4
SCHEMBL3080597 0.80 ENPP2 (0.59) ENPP2PIM1CSNK2A1IDO1CHEK2
SCHEMBL3094044 0.76 IDO1 (0.44) ENPP2PIM1CSNK2BCSNK2A1PIM2
SCHEMBL23718811 0.75 IDO1 (0.50) ENPP2XDHIDO1
SCHEMBL2158677 0.75 ENPP2 (0.61) ENPP2IDO1
SCHEMBL18772981 0.71 IDO1 (0.41) ENPP2XDHIDO1
SCHEMBL3634334 0.71 KDM4E (0.72) MKNK1MKNK2RIPK1IKBKBCHUK
SCHEMBL751010 0.71 MKNK1 (0.42) MKNK1MKNK2CA12CA1CA2

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
CN-102159207-A Substituted pyrrolidine-2-carboxamides HOFFMANN LA ROCHE 2011-08-17 CN claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US 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-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP disclosed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
CN-102159207-A Substituted pyrrolidine-2-carboxamides HOFFMANN LA ROCHE 2011-08-17 CN 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

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 MKNK1 4255/4885MKNK2 3576/4885ENPP2 3413/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 MKNK1 4255/4885MKNK2 3576/4885ENPP2 3413/4885

“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.