SCHEMBL10111099

SCHEMBL10111099

c1ccc(-c2nnc(-c3cccc4cccnc34)n2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
AKT1 P31749 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR5 O60602 1/20 0.37
METAP2 P50579 1/20 0.37
KMT2A Q03164 1/20 0.36
ATR Q13535 1/20 0.36
AVPR1A P37288 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL10110968 0.96 P2RX7 (0.42) P2RX7SIRT2AKT1ALDH1A1TSHR
SCHEMBL13805294 0.93 P2RX7 (0.38) P2RX7SIRT2AKT1ALDH1A1TSHR
SCHEMBL13805026 0.90 P2RX7 (0.38) P2RX7SIRT2AKT1ALDH1A1TSHR
SCHEMBL2745115 0.86 KDM4E (0.48) SIRT2AKT1ALDH1A1TSHRCYP2C19
SCHEMBL10111095 0.85 KDM4E (0.46) AKT1ALDH1A1TSHRKDM4EATM
SCHEMBL10111109 0.82 KDM4E (0.52) AKT1ALDH1A1TSHRKDM4EATM
SCHEMBL10110958 0.81 KDM4E (0.49) ALDH1A1TSHRKDM4EATML3MBTL1
SCHEMBL2744593 0.80 KDM4E (0.61) ALDH1A1TSHRKDM4EATML3MBTL1
SCHEMBL10111007 0.79 KDM4E (0.49) SIRT2ALDH1A1TSHRCYP2C19KDM4E
SCHEMBL10110957 0.79 KDM4E (0.53) AKT1ALDH1A1TSHRKDM4EATM

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 P2RX7 626/4885SIRT2 1419/4885AKT1 4445/4885
US-20160268515-A1 TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE TYR, TH, YEATS4 P2RX7 626/4885SIRT2 1419/4885AKT1 4445/4885
US-10790451-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device with the use of triazole derivative TYR, TH, YEATS4 P2RX7 626/4885SIRT2 1419/4885AKT1 4445/4885
US-20080286607-A1 Triazole derivative, and light-emitting device, and electronic device with the use of triazole derivative TYR, TH, CYP3A4 P2RX7 583/4885SIRT2 1097/4885AKT1 4419/4885

“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.