SCHEMBL510910

SCHEMBL510910

Cc1ccc(CO)c(N)n1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TKT P29401 19/20 0.49
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL16437203 0.80 KDM4E (0.52) TKTKDM4EALDH1A1
SCHEMBL1581884 0.80 TKT (0.46) TKT
SCHEMBL14512328 0.78 TKT (0.42) TKT
SCHEMBL12898280 0.78 TKT (0.41) TKT
SCHEMBL29674415 0.77 KDM4E (0.48) TKTKDM4EALDH1A1
SCHEMBL957406 0.77 KDM4E (0.48) TKTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1266449 0.77 TKT (0.40) TKT
SCHEMBL17827097 0.77 TKT (0.43) TKT
SCHEMBL21914603 0.75 TKT (0.49) TKT
SCHEMBL23287000 0.74 KDM4E (0.45) TKTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732619-A Synthesizing method of 5,6,7,8-tetrahydropyridino-[2,3-d]pyrimidine compound 华南理工大学 2016-07-06 CN claimed
CN-105732619-B A kind of synthetic method of 5,6,7,8 tetrahydropyridines simultaneously [2,3 d] pyrimidines 华南理工大学 2017-06-06 CN disclosed
CN-104876929-B The synthetic method of a kind of 1,2,3,4-Tetrahydronaphthyridderivates compounds and application 华南理工大学 2016-10-05 CN disclosed
CN-105732619-A Synthesizing method of 5,6,7,8-tetrahydropyridino-[2,3-d]pyrimidine compound 华南理工大学 2016-07-06 CN disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
EP-1944303-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2013-08-21 EP disclosed
EP-1944303-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2013-08-21 EP disclosed
US-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 US disclosed
CN-101300250-A Heterocyclic substituted pyridine derivative and antifungal agent containing the same EISAI R&D MAN CO LTD (JP) 2008-11-05 CN disclosed
EP-1944303-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2008-07-16 EP disclosed
EP-1944303-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2008-07-16 EP disclosed
US-20070293501-A1 Thioalkeneamides as Transketolase Inhibitors ARRAY BIOPHARMA INC. (US) 2007-12-20 US disclosed
US-20070293501-A1 Thioalkeneamides as Transketolase Inhibitors ARRAY BIOPHARMA INC. (US) 2007-12-20 US disclosed
US-20070293501-A1 Thioalkeneamides as Transketolase Inhibitors ARRAY BIOPHARMA INC. (US) 2007-12-20 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
WO-2005095344-A1 THIOALKENEAMIDES AS TRANSKETOLASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-10-13 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 (2 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-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells GPI, ERG28, MAN2A1 TKT 2130/4885KDM4E 1711/4885ALDH1A1 3327/4885
US-20070293501-A1 Thioalkeneamides as Transketolase Inhibitors TKT, AKR1A1, RRM2 TKT 1/4885KDM4E 824/4885ALDH1A1 132/4885

“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.