SCHEMBL2061785

SCHEMBL2061785

Nc1ccc2c(c1)CC(=O)NCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.46
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP2 O95551 2/20 0.41
PARP1 P09874 7/20 0.41
PARP10 Q53GL7 7/20 0.41
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP11 Q9NR21 2/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
GAA P10253 2/20 0.36
CMA1 P23946 1/20 0.36

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
SCHEMBL30468395 1.00 CA9 (0.46) CA9CASP1CASP7HSD17B10TDP2
SCHEMBL2061223 0.93 CA9 (0.46) CA9CASP1CASP7HSD17B10TDP2
SCHEMBL2081699 0.81 CA9 (0.44) CA9CASP1CASP7HSD17B10TDP2
SCHEMBL5334289 0.79 PARP10 (0.57) TDP2PARP1PARP10MAPTPARP11
SCHEMBL30468509 0.79 DRD2 (0.55) TDP2PARP1PARP10PARP11F7
SCHEMBL5040462 0.79 DRD2 (0.55) TDP2PARP1PARP10PARP11F7
SCHEMBL12151268 0.79 PARP10 (0.57) PARP1PARP10MAPTLMNARAB9A
SCHEMBL21247645 0.78 CA9 (0.44) CA9CASP1CASP7HSD17B10TDP2
SCHEMBL30839539 0.78 CA9 (0.44) CA9CASP1CASP7HSD17B10TDP2
SCHEMBL2616913 0.77 TDP2 (0.54) CA9CASP1CASP7HSD17B10TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 CN disclosed
US-9676781-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-09-10 US disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
US-9062034-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 US disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
US-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 US disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 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 (5 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET CA9 1403/4885CASP1 2471/4885CASP7 1873/4885
US-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GNMT CA9 492/4885CASP1 3902/4885CASP7 4541/4885
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 CA9 543/4885CASP1 4056/4885CASP7 4566/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET CA9 1403/4885CASP1 2471/4885CASP7 1873/4885
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 CA9 543/4885CASP1 4056/4885CASP7 4566/4885

“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.