SCHEMBL10111013

SCHEMBL10111013

c1ccc(-c2ccc(-n3c(-c4ccccc4)nnc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.57
KDM4E B2RXH2 2/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
OXTR P30559 1/20 0.51
GLA P06280 1/20 0.50
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 3/20 0.46
HDAC4 P56524 1/20 0.45
MEN1 O00255 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL10111104 1.00 AVPR1A (0.57) AVPR1AKDM4EATML3MBTL1OXTR
SCHEMBL10111058 0.98 KDM4E (0.60) AVPR1AKDM4EATML3MBTL1OXTR
SCHEMBL10110955 0.98 KDM4E (0.60) AVPR1AKDM4EATML3MBTL1OXTR
SCHEMBL29622127 0.97 KDM4E (0.62) AVPR1AKDM4EATML3MBTL1OXTR
SCHEMBL888033 0.97 KDM4E (0.62) AVPR1AKDM4EATML3MBTL1OXTR
SCHEMBL2744593 0.96 KDM4E (0.61) AVPR1AKDM4EATML3MBTL1OXTR
SCHEMBL10100853 0.95 KDM4E (0.64) AVPR1AKDM4EATML3MBTL1OXTR
SCHEMBL16501065 0.92 AVPR1A (0.50) AVPR1AKDM4EATML3MBTL1OXTR
SCHEMBL13133900 0.92 AVPR1A (0.50) AVPR1AKDM4EATML3MBTL1OXTR
SCHEMBL10111108 0.92 AVPR1A (0.53) AVPR1AKDM4EATML3MBTL1OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10790451-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device with the use of triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2020-09-29 US disclosed
US-20160268515-A1 TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE SEMICONDUCTOR ENERGY LAB (JP) 2016-09-15 US disclosed
US-20160268515-A1 TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE SEMICONDUCTOR ENERGY LAB (JP) 2016-09-15 US disclosed
US-9397299-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device with the use of triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-07-19 US disclosed
US-9397299-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device with the use of triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-07-19 US disclosed
US-20140042420-A1 TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-02-13 US disclosed
US-20140042420-A1 TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-02-13 US disclosed
US-20120199818-A1 TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-08-09 US disclosed
US-20120199818-A1 TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-08-09 US disclosed
US-8178217-B2 4-(4-bromophenyl)-3,5-diphenyl-4H-1,2,4-triazole; high triplet excitation energy; high luminous efficiency, low power consumption SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-8178217-B2 4-(4-bromophenyl)-3,5-diphenyl-4H-1,2,4-triazole; high triplet excitation energy; high luminous efficiency, low power consumption SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
WO-2008143019-A1 TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-11-27 WO disclosed
US-20080286607-A1 Triazole derivative, and light-emitting device, and electronic device with the use of triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-11-20 US disclosed
US-20080286607-A1 Triazole derivative, and light-emitting device, and electronic device with the use of triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-11-20 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 (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-20120199818-A1 TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE TYR, TH, YEATS4 AVPR1A 4243/4885KDM4E 1730/4885ATM 2060/4885
US-20160268515-A1 TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE TYR, TH, YEATS4 AVPR1A 4243/4885KDM4E 1730/4885ATM 2060/4885
US-10790451-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device with the use of triazole derivative TYR, TH, YEATS4 AVPR1A 4243/4885KDM4E 1730/4885ATM 2060/4885
US-20080286607-A1 Triazole derivative, and light-emitting device, and electronic device with the use of triazole derivative TYR, TH, CYP3A4 AVPR1A 4259/4885KDM4E 1533/4885ATM 2187/4885

“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.