SCHEMBL2158308

SCHEMBL2158308

Nc1ccc(-c2nnn[nH]2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
TSHR P16473 2/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 10/20 0.35
GAA P10253 7/20 0.35
KDM4E B2RXH2 5/20 0.35
MAPT P10636 5/20 0.35
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 3/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HPGD P15428 5/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HSD17B10 Q99714 3/20 0.33
BLM P54132 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALOX15 P16050 2/20 0.33

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
SCHEMBL24690273 0.86 CYP3A4 (0.41) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL14217428 0.84 ALDH1A1 (0.34) CYP3A4TSHRALDH1A1GAAKDM4E
SCHEMBL705941 0.82 HSD11B1 (0.44) TSHRALDH1A1GAAKDM4EMAPT
SCHEMBL12821696 0.81 CASP1 (0.38) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL31376956 0.81 CASP1 (0.38) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL14468900 0.79 NPC1 (0.37) TSHRALDH1A1MAPTRAB9ANPC1
SCHEMBL3376022 0.76 CHEK2 (0.43)
SCHEMBL23910023 0.76 MAPT (0.32) ALDH1A1GAAKDM4EMAPTRAB9A
SCHEMBL1308358 0.76 IDO1 (0.41) CYP3A4TSHRALDH1A1GAAKDM4E
SCHEMBL4326211 0.76 HSP90AA1 (0.44) CYP3A4ALDH1A1GAAKDM4EMAPT

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 24 patents — showing the first 20. 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
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
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US 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
EP-2340021-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2011-07-06 EP disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US 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
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 CYP3A4 740/4885TSHR 846/4885CA1 3387/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 CYP3A4 740/4885TSHR 846/4885CA1 3387/4885

“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.