SCHEMBL12477103

SCHEMBL12477103

C(=Nc1ccccn1)c1cncnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PKM P14618 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MCL1 Q07820 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NLRP3 Q96P20 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39

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
SCHEMBL12477101 1.00 KDM4E (0.43) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL4928069 0.81 MAOA (0.48) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL10972894 0.81 MAOA (0.48) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL14128964 0.78 KDM4E (0.45) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL14129022 0.77 KDM4E (0.42) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL14128965 0.76 ALDH1A1 (0.49) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL29257714 0.76 MAPT (0.39) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL7262462 0.75 RAB9A (0.55) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL7262459 0.75 RAB9A (0.55) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL28089833 0.75 KDM4E (0.55) KDM4EALDH1A1MAPTRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103459387-B Mesoionic pyrido [1,2-A ] pyrimidines as pesticides DUPONT (US) 2015-08-26 CN claimed
EP-2658856-B1 MESOIONIC PYRIDO [1,2-A] PYRIMIDINE PESTICIDES DU PONT (US) 2015-02-25 EP claimed
US-8895738-B2 Mesoionic pyrido [1, 2-A] pyrimidine pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-25 US claimed
US-20130190171-A1 MESOIONIC PYRIDO [1, 2-A] PYRIMIDINE PESTICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-07-25 US claimed
EP-2791107-B1 MALONIC ACID DI-SALTS AND A METHOD FOR PREPARING MALONYL DIHALIDES FMC CORP (US) 2019-03-13 EP disclosed
WO-2017189339-A1 PROCESS FOR THE PREPARATION OF N-[(5-PYRIMIDINYL)METHYL]-2-PYRIDINAMINES E I DU PONT DE NEMOURS AND COMPANY (US) 2017-11-02 WO disclosed
CN-105198874-A Mesoionic Pyrido [1,2 -A] Pyrimidine Pesticides DU PONT 2015-12-30 CN disclosed
CN-103459387-B Mesoionic pyrido [1,2-A ] pyrimidines as pesticides DUPONT (US) 2015-08-26 CN disclosed
US-9108965-B2 Malonic acid di-salts and a method for preparing malonyl dihalides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 US disclosed
EP-2658856-B1 MESOIONIC PYRIDO [1,2-A] PYRIMIDINE PESTICIDES DU PONT (US) 2015-02-25 EP disclosed
US-20150038329-A1 MESOIONIC PESTICIDES DU PONT (US) 2015-02-05 US disclosed
US-8895738-B2 Mesoionic pyrido [1, 2-A] pyrimidine pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-25 US disclosed
US-20140343284-A1 MALONIC ACID DI-SALTS AND A METHOD FOR PREPARING MALONYL DIHALIDES FMC CORPORATION 2014-11-20 US disclosed
EP-2791107-A1 MALONIC ACID DI-SALTS AND A METHOD FOR PREPARING MALONYL DIHALIDES E. I. Du Pont de Nemours and Company (US) 2014-10-22 EP disclosed
EP-2658856-A1 MESOIONIC PYRIDO [1,2 -A]PYRIMIDINE PESTICIDES E.I. Du Pont De Nemours And Company (US) 2013-11-06 EP disclosed
US-20130190171-A1 MESOIONIC PYRIDO [1, 2-A] PYRIMIDINE PESTICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-07-25 US disclosed
WO-2013090547-A1 MALONIC ACID DI-SALTS AND A METHOD FOR PREPARING MALONYL DIHALIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-06-20 WO disclosed
WO-2012092115-A1 MESOIONIC PYRIDO [1,2 -A] PYRIMIDINE PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-07-05 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 (3 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-20140343284-A1 MALONIC ACID DI-SALTS AND A METHOD FOR PREPARING MALONYL DIHALIDES ME1, DDT, ME3 KDM4E 1104/4885ALDH1A1 116/4885MAPT 4432/4885
US-20150038329-A1 MESOIONIC PESTICIDES C5, DDT, CBR3 KDM4E 862/4885ALDH1A1 1406/4885MAPT 4446/4885
US-20130190171-A1 MESOIONIC PYRIDO [1, 2-A] PYRIMIDINE PESTICIDES PNPO, C5, CBR3 KDM4E 1164/4885ALDH1A1 1157/4885MAPT 4369/4885

“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.