SCHEMBL2800822

SCHEMBL2800822

N=C1NC(=O)c2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.50
NSD2 O96028 3/20 0.50
PAX8 Q06710 3/20 0.50
GAA P10253 2/20 0.50
ABL1 P00519 1/20 0.50
PLCG1 P19174 1/20 0.50
CES1 P23141 1/20 0.50
RIN1 Q13671 1/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
S100A4 P26447 5/20 0.46
CDC25B P30305 3/20 0.46
PTPRC P08575 2/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46

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
SCHEMBL6242884 0.82 TDP2 (0.45) TDP2NSD2PAX8GAAABL1
SCHEMBL30534404 0.82 TDP2 (0.56) TDP2NSD2PAX8GAAABL1
SCHEMBL43437 0.82 TDP2 (0.56) TDP2NSD2PAX8GAAABL1
SCHEMBL11687696 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13442892 0.71 TDP2 (0.63) TDP2NSD2PAX8GAAABL1
SCHEMBL29497778 0.70 GSK3B (0.67) TDP2GAAPLCG1CES1MEN1
SCHEMBL160837 0.70 GSK3B (0.67) TDP2GAAPLCG1CES1MEN1
SCHEMBL12538393 0.69 TDP2 (0.50) TDP2NSD2PAX8GAAABL1
Water SCHEMBL9341474 0.69 GSK3B (0.64) TDP2GAAPLCG1CES1MEN1
Hydrochloric Acid SCHEMBL5883520 0.69 GSK3B (0.64) TDP2GAAPLCG1CES1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567325-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2017-02-14 US disclosed
US-20150045394-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-12 US disclosed
US-8906941-B2 Carboxamide compounds and their use as calpain inhibitors ABBVIE INC. (US) 2014-12-09 US disclosed
EP-2398783-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2011-12-28 EP disclosed
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-08-26 US disclosed
WO-2010094755-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-08-26 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-20150045394-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAMK4, CAMK2A, CAMK2B TDP2 1869/4885NSD2 2592/4885PAX8 4116/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B TDP2 1925/4885NSD2 2551/4885PAX8 4100/4885

“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.