SCHEMBL4468018

SCHEMBL4468018

[c]1cnccc1N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.48
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
TSHR P16473 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CASP1 P29466 2/20 0.32
MAPK1 P28482 1/20 0.32
CASP7 P55210 1/20 0.32
GFER P55789 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.32
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL4467284 0.98 CHKA (0.47) CHKATDP1L3MBTL1HRH3CYP1A2
SCHEMBL17595113 0.82 PLD1 (0.53) HRH3SIGMAR1KDM4EALDH1A1ROCK2
SCHEMBL1880062 0.82 AR (0.41) CHKACYP1A2MAPTKDM4EALDH1A1
SCHEMBL4770024 0.80 MAPT (0.37) MAPTMAPK1ROCK2ROCK1LMNA
SCHEMBL11908031 0.79 PRKCB (0.44) ROCK2ROCK1HRH4
SCHEMBL10525752 0.71 HRH3 (0.46) CHKATDP1L3MBTL1HRH3CYP1A2
SCHEMBL10525587 0.69 CYP1A2 (0.47) TDP1L3MBTL1HRH3CYP1A2CYP3A4
SCHEMBL558464 0.67 CHKA (0.39) CHKATDP1CYP1A2TSHRMAPT
SCHEMBL4471338 0.67 CHKA (0.39) CHKASIGMAR1MAPTCHRNB2CHRNA4
SCHEMBL49273 0.66 CHKA (1.00) CHKATDP1L3MBTL1CYP1A2CYP3A4

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109749562-A A kind of new-energy automobile fire retardant insulating coating and preparation method thereof 杨记周 2019-05-14 CN claimed
US-20190031623-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-31 US claimed
EP-3191486-B1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2018-08-01 EP claimed
US-20170247343-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-31 US claimed
EP-3191486-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRMIDINE INHIBITORS OF MYELOPEROXIDASE Bristol-Myers Squibb Company (US) 2017-07-19 EP claimed
EP-3041474-A1 ANTIPROLIFERATIVE COMPOUNDS Genentech, Inc. (US) 2016-07-13 EP claimed
WO-2016040419-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 WO claimed
WO-2015035062-A1 ANTIPROLIFERATIVE COMPOUNDS GENENTECH, INC. (US) 2015-03-12 WO claimed
US-20150065522-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. 2015-03-05 US claimed
US-6716984-B2 CONTACTING PHOSPHINE COMPOUND OFTHE FORMULA XPR1R2, WHEREIN X IS A HALOGEN, WITH THE SOLID SUPPORT, RESULTING IN THE P IN THE PHOSPHINE ATTACHED INDIRECTLY OR DIRECTLY TO SOLID SUPPORT VIA A COVALENT BONDS, AND REPLACING R1 OR R2 GROUPS E. I. DU PONT DE NEMOURS AND COMPANY 2004-04-06 US claimed
EP-1274744-A2 POLYMER-SUPPORTED SYNTHESIS OF HETEROATOM BIDENTATE LIGANDS FOR CATALYSIS E.I. DUPONT DE NEMOURS AND COMPANY, Legal Patent Records Center (US) 2003-01-15 EP claimed
US-20020077479-A1 Polymer-supported synthesis of heteroatom bidentate ligands for catalysis E. I. DU PONT DE NEMOURS AND COMPANY 2002-06-20 US claimed
WO-2001079213-A2 POLYMER-SUPPORTED SYNTHESIS OF HETEROATOM BIDENTATE LIGANDS FOR CATALYSIS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-10-25 WO claimed
EP-4023640-A1 PHENYLIMIDAZOLE COMPOUND Otsuka Pharmaceutical Factory, Inc. (JP) 2022-07-06 EP disclosed
CN-113200962-A Phenylimidazole compounds 株式会社大塚制药工场 2021-08-03 CN disclosed
CN-108430977-B Phenylimidazole compounds 株式会社大塚制药工场 2021-06-08 CN disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
EP-1274744-A2 POLYMER-SUPPORTED SYNTHESIS OF HETEROATOM BIDENTATE LIGANDS FOR CATALYSIS E.I. DUPONT DE NEMOURS AND COMPANY, Legal Patent Records Center (US) 2003-01-15 EP disclosed
US-20020077479-A1 Polymer-supported synthesis of heteroatom bidentate ligands for catalysis E. I. DU PONT DE NEMOURS AND COMPANY 2002-06-20 US disclosed
WO-2001079213-A2 POLYMER-SUPPORTED SYNTHESIS OF HETEROATOM BIDENTATE LIGANDS FOR CATALYSIS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-10-25 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 (4 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-20190031623-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 CHKA 1930/4885TDP1 660/4885L3MBTL1 4354/4885
US-20150065522-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM5A, KDM5B, KDM5C CHKA 732/4885TDP1 490/4885L3MBTL1 912/4885
US-20170247343-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 CHKA 1930/4885TDP1 660/4885L3MBTL1 4354/4885
US-20020077479-A1 Polymer-supported synthesis of heteroatom bidentate ligands for catalysis PARG, PCNA, PARN CHKA 2252/4885TDP1 2818/4885L3MBTL1 4304/4885

“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.