SCHEMBL400873

SCHEMBL400873

Brc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
RXFP1 Q9HBX9 2/20 0.65
MEN1 O00255 1/20 0.65
AVPR1A P37288 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALDH1A1 P00352 4/20 0.53
TSHR P16473 3/20 0.53
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 3/20 0.53
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
GLA P06280 1/20 0.51
OXTR P30559 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NLRP3 Q96P20 1/20 0.46

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
SCHEMBL515312 0.94 RXFP1 (0.73) KMT2ARXFP1MEN1AVPR1ACYP3A4
SCHEMBL18682230 0.92 RXFP1 (0.75) KMT2ARXFP1MEN1AVPR1ACYP3A4
SCHEMBL17223082 0.90 RXFP1 (0.61) KMT2ARXFP1MEN1AVPR1ACYP3A4
SCHEMBL1104422 0.88 KMT2A (0.56) KMT2ARXFP1MEN1AVPR1ACYP3A4
SCHEMBL3165498 0.88 RXFP1 (0.56) KMT2ARXFP1MEN1AVPR1ACYP3A4
SCHEMBL2744339 0.88 MEN1 (0.60) KMT2ARXFP1MEN1AVPR1ACYP3A4
SCHEMBL28320964 0.85 AVPR1A (0.71) KMT2ARXFP1MEN1AVPR1AALDH1A1
SCHEMBL39449 0.85 AVPR1A (0.70) KMT2ARXFP1MEN1AVPR1AALDH1A1
SCHEMBL18327898 0.85 AVPR1A (0.70) KMT2ARXFP1MEN1AVPR1AALDH1A1
SCHEMBL12805222 0.85 RXFP1 (0.54) KMT2ARXFP1MEN1AVPR1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658877-A A kind of preparation and its application of electron-transporting type material 中国科学院成都有机化学有限公司 2018-10-16 CN claimed
WO-2023160187-A1 CARBAZOLE DERIVATIVE AND USE THEREOF 上海八亿时空先进材料有限公司 2023-08-31 WO disclosed
CN-107021956-B Benzoxazole derivative and application thereof 石家庄诚志永华显示材料有限公司 2020-12-01 CN disclosed
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-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
CN-110724124-A Triazole derivatives 株式会社半导体能源研究所 2020-01-24 CN disclosed
CN-107056717-B D-A type organic fluorescence small molecule material and its application in ferric ion detection 吉林大学 2019-07-30 CN disclosed
CN-108658877-A A kind of preparation and its application of electron-transporting type material 中国科学院成都有机化学有限公司 2018-10-16 CN disclosed
US-10038146-B2 Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2018-07-31 US disclosed
US-10038146-B2 Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2018-07-31 US disclosed
US-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-04-01 US disclosed
WO-2009081718-A1 TRIAZOLE DERIVATIVE, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-07-02 WO disclosed
US-20090160324-A1 Triazole Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-25 US disclosed
US-20090160324-A1 Triazole Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-25 US disclosed
US-20090160324-A1 Triazole Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-25 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
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
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 (5 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-10038146-B2 Organic light-emitting compound and organic electroluminescent device using same IDO1, IDO2, KYNU KMT2A 2669/4885RXFP1 2924/4885MEN1 2218/4885
US-20090160324-A1 Triazole Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Device GRIN3A, TEAD2, TBL3 KMT2A 1412/4885RXFP1 4555/4885MEN1 3975/4885
US-10790451-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device with the use of triazole derivative TYR, TH, YEATS4 KMT2A 1412/4885RXFP1 4405/4885MEN1 3934/4885
US-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative TTI1, TTI2, NLRP3 KMT2A 3010/4885RXFP1 1980/4885MEN1 2783/4885
US-20080286607-A1 Triazole derivative, and light-emitting device, and electronic device with the use of triazole derivative TYR, TH, CYP3A4 KMT2A 1290/4885RXFP1 4330/4885MEN1 3872/4885

“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.