SCHEMBL3262277

SCHEMBL3262277

c1cnnc(-c2cccs2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
ALDH1A1 P00352 6/20 0.57
HPGD P15428 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2B6 P20813 1/20 0.47
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
HSD17B10 Q99714 6/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
CASP3 P42574 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
SCHEMBL11505235 0.78
SCHEMBL1897824 0.78 KDM4E (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL30792004 0.74 GOT1 (0.46) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL1456807 0.74 GOT1 (0.46) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL29442588 0.74 GOT1 (0.46) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL498897 0.73 KDM4E (1.00) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29044100 0.73 CYP3A4 (0.48) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL12608094 0.72 MEN1 (0.54) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL30596386 0.72 KDM4E (0.61) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL36011 0.72 KDM4E (0.61) KDM4EALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554361-B1 METALLIC COMPLEXES COVALENTLY BOUND TO CONJUGATED POLYMERS AND ELECTRONIC DEVICES CONTAINING SUCH COMPOSITIONS DU PONT (US) 2010-03-17 EP claimed
US-7090929-B2 Metallic complexes covalently bound to conjugated polymers and electronic devices containing such compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-08-15 US claimed
EP-1554361-A1 METALLIC COMPLEXES COVALENTLY BOUND TO CONJUGATED POLYMERS AND ELECTRONIC DEVICES CONTAINING SUCH COMPOSITIONS E. I. du Pont de Nemours and Company (US) 2005-07-20 EP claimed
US-20040072018-A1 Metallic complexes covalently bound to conjugated polymers and electronic devices containing such compositions LG CHEM, LTD. (KR) 2004-04-15 US claimed
WO-2004015025-A1 METALLIC COMPLEXES COVALENTLY BOUND TO CONJUGATED POLYMERS AND ELECTRONIC DEVICES CONTAINING SUCH COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2004-02-19 WO claimed
US-9812315-B2 Treating solution for electronic parts, and process for producing electronic parts FINE POLYMERS CORPORATION (JP) 2017-11-07 US disclosed
US-9249154-B2 Compounds and therapeutic use thereof for protein kinase inhibition WU ZHANGGUI (US) 2016-02-02 US disclosed
US-20150279654-A1 TREATING SOLUTION FOR ELECTRONIC PARTS, AND PROCESS FOR PRODUCING ELECTRONIC PARTS FINE POLYMERS CORPORATION (JP) 2015-10-01 US disclosed
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION WU ZHANGGUI (US) 2013-06-06 US disclosed
US-8318740-B2 Compounds for protein kinase inhibition WU ZHANGGUI (US) 2012-11-27 US disclosed
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition WU ZHANGGUI 2009-11-05 US disclosed
US-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-10-19 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 (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-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors GABRA5, GABRA2, GABRA3 KDM4E 3010/4885ALDH1A1 236/4885HPGD 996/4885
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition CHEK2, CHEK1, PLK1 KDM4E 1966/4885ALDH1A1 3639/4885HPGD 2757/4885
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 KDM4E 1966/4885ALDH1A1 3639/4885HPGD 2757/4885

“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.