SCHEMBL4175358

SCHEMBL4175358

[C]#Cc1cccc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.54
MMP2 P08253 2/20 0.54
TSHR P16473 2/20 0.54
CYP3A4 P08684 2/20 0.54
ALOX15 P16050 2/20 0.54
HTT P42858 2/20 0.54
CCR1 P32246 2/20 0.54
CCR5 P51681 2/20 0.54
CCR8 P51685 2/20 0.54
GMNN O75496 1/20 0.54
TP53 P04637 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CYP2D6 P10635 1/20 0.54
MMP9 P14780 1/20 0.54
NFKB1 P19838 1/20 0.54
MMP8 P22894 1/20 0.54
THPO P40225 1/20 0.54
MTOR P42345 1/20 0.54

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
SCHEMBL29398699 0.79 SLC40A1 (0.55) KDM4ELMNAMAPTMMP2TSHR
SCHEMBL194280 0.79 KDM4E (0.54) KDM4ELMNAMAPTMMP2TSHR
SCHEMBL737516 0.79 KDM4E (0.54) KDM4ELMNAMAPTMMP2TSHR
SCHEMBL1341511 0.79 SLC40A1 (0.55) KDM4ELMNAMAPTMMP2TSHR
Hydrochloric Acid SCHEMBL27976997 0.78 SLC40A1 (0.54) KDM4ELMNAMAPTMMP2TSHR
SCHEMBL6852617 0.76 KDM4E (0.50) KDM4ELMNAMAPTMMP2TSHR
SCHEMBL11966088 0.76 KDM4E (0.50) KDM4ELMNAMAPTMMP2TSHR
SCHEMBL736420 0.73 MMP2 (0.44) KDM4ELMNAMAPTMMP2TSHR
SCHEMBL6852161 0.73 KDM4E (0.47) KDM4ELMNAMAPTMMP2TSHR
SCHEMBL24693564 0.72 KDM4E (0.45) KDM4ELMNAMAPTMMP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112955422-B polycyclic compound 三菱瓦斯化学株式会社 2023-08-22 CN claimed
US-20210355058-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2021-11-18 US claimed
US-20210340317-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-11-04 US claimed
CN-112955422-A Polycyclic compounds 三菱瓦斯化学株式会社 2021-06-11 CN claimed
WO-2020080558-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-04-23 WO claimed
WO-2020079225-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-04-23 WO claimed
CN-112955422-B polycyclic compound 三菱瓦斯化学株式会社 2023-08-22 CN disclosed
US-20210355058-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2021-11-18 US disclosed
US-20210340317-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-11-04 US disclosed
CN-112955422-A Polycyclic compounds 三菱瓦斯化学株式会社 2021-06-11 CN disclosed
WO-2020080558-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-04-23 WO disclosed
WO-2020079225-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-04-23 WO disclosed
CN-101111499-B Substituted ethynyl gold-nitrogen-containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES 2012-05-23 CN disclosed
US-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same UBE INDUSTRIES, LTD. (JP) 2009-04-09 US disclosed
CN-101111499-A Substituted ethynyl gold-nitrogenated heterocyclic carbene complex and organic electroluminescent device using same UBE INDUSTRIES (JP) 2008-01-23 CN 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-20210340317-A1 POLYCYCLIC COMPOUNDS CBR1, C1R, CBR3 KDM4E 1132/4885LMNA 570/4885MAPT 4484/4885
US-20210355058-A1 POLYCYCLIC COMPOUNDS CBR1, CBR3, C1R KDM4E 965/4885LMNA 721/4885MAPT 4486/4885
US-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same ACSL3, ATXN2L, ACSL1 KDM4E 1868/4885LMNA 2067/4885MAPT 4507/4885

“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.