SCHEMBL4717301

SCHEMBL4717301

CCN1CCN(CCN2CCOCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ GLA P06280 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ SCN1A P35498 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ SCN3A Q9NY46 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44

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
SCHEMBL9906196 0.95 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2KEAP1GLA
SCHEMBL12677694 0.93 KEAP1 (0.56) ALDH1A1KDM4ESMN1; SMN2KEAP1MAPK1
SCHEMBL28231022 0.92 USP2 (0.46) ALDH1A1KDM4ESMN1; SMN2KEAP1GLA
Fluoride SCHEMBL7750159 0.92 — —
SCHEMBL15265769 0.92 USP2 (0.46) ALDH1A1KDM4ESMN1; SMN2KEAP1GLA
SCHEMBL8135220 0.92 — —
SCHEMBL474212 0.92 — —
SCHEMBL3167 0.92 — —
Fluoride SCHEMBL11426086 0.92 USP2 (0.46) ALDH1A1KDM4ESMN1; SMN2KEAP1GLA
SCHEMBL23481366 0.89 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2KEAP1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-09-08 — — US claimed
EP-1490367-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-29 — — EP claimed
WO-2003080610-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 — — WO claimed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
US-9242976-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 — — US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 — — US disclosed
US-20150045347-A1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-02-12 — — US disclosed
US-20130023497-A1 Triazine Derivatives and their Therapeutical Applications NANTBIO, INC. 2013-01-24 — — US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 — — US disclosed
US-20120196860-A1 Triazine derivatives and their therapeutical applications CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-08-02 — — US disclosed
US-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-12 — — US disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 — — US disclosed
US-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2011-06-23 — — US disclosed
US-20100279996-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A BARBIER LINDSAY BURNS 2010-11-04 — — US disclosed
EP-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 — — EP disclosed
US-7348339-B2 2-(4-amino-furazan-3-yl)-1-ethyl-N-[(2R)-2-morpholinylmethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide; Mitogen- and Stress-Activated Protein (MSK) and Rho (guanosine triphosphate) 1 or 2 kinase inhibitor; neurodegenerative diaeases; antiinflammatory, anticarcinogenic, antiviral and antibacterial agent GLAXO GROUP LIMITED (GB) 2008-03-25 — — US disclosed
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-09-08 — — US disclosed
EP-1490367-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-29 — — EP disclosed
WO-2003080610-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 — — 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 (10 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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 ALDH1A1 213/4885KDM4E 4209/4885SMN1; SMN2 1130/4885
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B ALDH1A1 1898/4885KDM4E 2371/4885SMN1; SMN2 3895/4885
US-20150045347-A1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK3, IRAK1 ALDH1A1 3721/4885KDM4E 419/4885SMN1; SMN2 3095/4885
US-20100279996-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A FLNA, OPRL1, FLNB ALDH1A1 1291/4885KDM4E 4431/4885SMN1; SMN2 890/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B ALDH1A1 1726/4885KDM4E 2335/4885SMN1; SMN2 3995/4885
US-20130023497-A1 Triazine Derivatives and their Therapeutical Applications IL5, IKZF3, CYP11B2 ALDH1A1 360/4885KDM4E 4349/4885SMN1; SMN2 1513/4885
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors NR4A3, XDH, MAPK8 ALDH1A1 4524/4885KDM4E 1701/4885SMN1; SMN2 3075/4885
US-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS STK25, STK35, SGK2 ALDH1A1 3351/4885KDM4E 2463/4885SMN1; SMN2 2127/4885
US-20120196860-A1 Triazine derivatives and their therapeutical applications MAP3K2, MAP3K5, MAP4K2 ALDH1A1 3921/4885KDM4E 2636/4885SMN1; SMN2 3260/4885
US-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS BAZ2A, CAMKK2, BAZ1A ALDH1A1 3429/4885KDM4E 3203/4885SMN1; SMN2 2232/4885

“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.

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