SCHEMBL18653956

SCHEMBL18653956

c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7[nH]c6c54)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 3/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ HTR5A P47898 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ KIF11 P52732 2/20 0.36
▸ GABRP O00591 2/20 0.35
▸ GABRD O14764 2/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRB1 P18505 2/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ GABRA3 P34903 2/20 0.35
▸ GABRA2 P47869 2/20 0.35
▸ GABRB2 P47870 2/20 0.35
▸ GABRA4 P48169 2/20 0.35
▸ GABRE P78334 2/20 0.35

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
SCHEMBL20779908 0.93 TDO2 (0.42) TDO2HTR2BHTR5AKDM4ENQO2
SCHEMBL21217325 0.92 TDO2 (0.41) TDO2HTR2BHTR5AKDM4ENQO2
SCHEMBL19245324 0.91 TDO2 (0.40) TDO2HTR2BHTR5AKDM4EATM
SCHEMBL19474421 0.91 TDO2 (0.40) TDO2HTR2BHTR5AKDM4EATM
SCHEMBL17050884 0.91 TDO2 (0.42) TDO2HTR2BHTR5AKDM4ENQO2
SCHEMBL31478071 0.91 TDO2 (0.42) TDO2HTR2BHTR5AKDM4ENQO2
SCHEMBL19705311 0.90 KIF11 (0.33) TDO2HTR2BHTR5AKDM4EATM
SCHEMBL21146470 0.89 TOP1 (0.32) TDO2HTR2BHTR5AKDM4EATM
SCHEMBL19933533 0.89 KIF11 (0.35) TDO2HTR2BHTR5AKDM4EATM
SCHEMBL31072737 0.88 L3MBTL1 (0.47) KDM4EATML3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10840450-B2 Polymer, and mixture or formulation, and organic electronic device containing same, and monomer thereof GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2020-11-17 — — US disclosed
US-10323180-B2 Deuterated organic compound, mixture and composition containing said compound, and organic electronic device GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-06-18 — — US disclosed
EP-3229288-B1 POLYMER, AND MIXTURE, FORMULATION AND ORGANIC ELECTRONIC DEVICE CONTAINING THE SAME, AND MONOMER THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MAT LTD (CN) 2019-05-01 — — EP disclosed
US-20180010040-A1 DEUTERATED ORGANIC COMPOUND, MIXTURE AND COMPOSITION CONTAINING SAID COMPOUND, AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2018-01-11 — — US disclosed
US-20170358751-A1 POLYMER, MIXTURE AND COMPOUND CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE AND MONOMER THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2017-12-14 — — US disclosed
US-20170358751-A1 POLYMER, MIXTURE AND COMPOUND CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE AND MONOMER THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2017-12-14 — — US disclosed
EP-3229288-A1 POLYMER, MIXTURE AND COMPOUND CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE AND MONOMER THEREOF Guangzhou Chinaray Optoelectronic Materials Ltd. (CN) 2017-10-11 — — EP disclosed
US-20170194585-A1 ORGANIC MIXTURE, FORMULATION AND ORGANIC ELECTRONIC DEVICE COMPRISING THEREOF, AND THEIR APPLICATIONS GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2017-07-06 — — US disclosed
US-20170194585-A1 ORGANIC MIXTURE, FORMULATION AND ORGANIC ELECTRONIC DEVICE COMPRISING THEREOF, AND THEIR APPLICATIONS GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2017-07-06 — — US disclosed
EP-3144997-A1 ORGANIC MIXTURE, COMPOSITION CONTAINING SAME, ORGANIC ELECTRONIC DEVICE AND APPLICATION Guangzhou Chinaray Optoelectronic Materials Ltd. (CN) 2017-03-22 — — EP 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 (3 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-10323180-B2 Deuterated organic compound, mixture and composition containing said compound, and organic electronic device CTNND1, CCNT1, CCND2 TDO2 244/4885HTR2B 1150/4885HTR5A 1863/4885
US-20180010040-A1 DEUTERATED ORGANIC COMPOUND, MIXTURE AND COMPOSITION CONTAINING SAID COMPOUND, AND ORGANIC ELECTRONIC DEVICE CTNND1, CCND1, CCND2 TDO2 255/4885HTR2B 1134/4885HTR5A 1558/4885
US-10840450-B2 Polymer, and mixture or formulation, and organic electronic device containing same, and monomer thereof TEAD2, TEAD1, TEAD3 TDO2 2611/4885HTR2B 3686/4885HTR5A 4566/4885

“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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