SCHEMBL400612

SCHEMBL400612

[c]1[c]nc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
TSHR P16473 1/20 0.40
GPR3 P46089 1/20 0.40
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
KDM4E B2RXH2 4/20 0.38
GLA P06280 2/20 0.38
ACHE P22303 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 2/20 0.38
NQO2 P16083 3/20 0.36
POLB P06746 2/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 2/20 0.33
MAOA P21397 2/20 0.33
RAB9A P51151 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL1395756 0.70 MAPT (0.33) MAPT
SCHEMBL6344164 0.70 ALDH1A1 (0.41) MAPTTSHRALDH1A1KDM4EACHE
SCHEMBL1395713 0.70
SCHEMBL101137 0.70 MAPT (0.39) MAPTGPR3ALDH1A1HPGDKDM4E
SCHEMBL1973 0.67 MAPT (0.36) MAPTTSHRGPR3ALDH1A1HPGD
SCHEMBL95080 0.67 GPR3 (0.38) MAPTTSHRGPR3ALDH1A1HPGD
SCHEMBL9480318 0.66 MAPT (0.48) MAPTGPR3ALDH1A1HPGDKDM4E
Phenazine SCHEMBL9049 0.65 MAPT (1.00) MAPTTSHRALDH1A1HPGDKDM4E
Phenazine SCHEMBL29356959 0.65 MAPT (1.00) MAPTTSHRALDH1A1HPGDKDM4E
SCHEMBL9481868 0.64 MAPT (0.46) MAPTTSHRGPR3ALDH1A1HPGD

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 1214 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111465596-B Pyridinium salt and pest control agent 日本曹达株式会社 2023-09-22 CN claimed
CN-113710675-A Fused 9-hydroxy-1, 8-dioxo-1, 3,4, 8-tetrahydro-2H-pyrido [1,2-a ] pyrazine-7-carboxamides as HIV integrase inhibitors 亚历山大·瓦西里耶维奇·伊瓦切恩科 2021-11-26 CN claimed
EP-2848667-B1 Electrochromic single and two-core viologens and optical articles containing them ESSILOR INT (FR) 2019-04-10 EP claimed
EP-2848668-B1 Electrochromic two-core viologen derivatives and optical articles containing them ESSILOR INT (FR) 2019-01-09 EP claimed
CN-105579549-B Electrochromic compositions 依视路国际公司 2018-12-28 CN claimed
CN-105555912-B electrochromic composition 依视路国际公司 2018-12-14 CN claimed
US-9841652-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-12-12 US claimed
EP-2848669-B1 Electrochromic composition ESSILOR INT (COMPAGNIE GÉNÉRALE D'OPTIQUE) (FR) 2017-11-29 EP claimed
US-9823534-B2 Electrochromic single and two-core viologens and optical articles containing them ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-11-21 US claimed
US-9785030-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-10-10 US claimed
US-20100109517-A1 PYRENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-05-06 US claimed
EP-2159244-A1 ANTHRACENE POLYMER COMPOUND AND LIGHT-EMITTING DEVICE USING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-03-03 EP claimed
EP-2147944-A1 PYRENE POLYMER AND LUMINESCENT ELEMENT MADE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2010-01-27 EP claimed
US-6946207-B2 Electroconductive device, organic electroluminescence device using the device and process for producing the electroconductive device CANON KABUSHIKI KAISHA (JP) 2005-09-20 US claimed
EP-1310539-B1 Polymer compound and polymer light-emitting device using the same SUMITOMO CHEMICAL CO (JP) 2005-03-16 EP claimed
US-6830832-B2 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-14 US claimed
US-20030165713-A1 Polymer compound and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2003-09-04 US claimed
EP-1310539-A1 Polymer compound and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-14 EP claimed
US-20020135292-A1 Electroconductive device, organic electroluminescence device using the device and process for producing the electroconductive device CANON KABUSHIKI KAISHA (JP) 2002-09-26 US claimed
US-5081245-A Selective antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100109517-A1 PYRENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME TERB1, AHR, CYP1A1 MAPT 881/4885TSHR 3219/4885GPR3 397/4885

“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.