SCHEMBL820251

SCHEMBL820251

c1csc(-c2nnnnc2-c2cccs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 5/20 0.50
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 3/20 0.45
EPHX2 P34913 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2E1 P05181 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2B6 P20813 1/20 0.43
ADORA2A P29274 2/20 0.43
DHFR P00374 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL1424820 0.78 ALDH1A1 (0.46) RPS6KB2KDM4EALDH1A1KMT2AMEN1
SCHEMBL10380140 0.76 NPSR1 (0.46) RPS6KB2KDM4EALDH1A1KMT2AMEN1
SCHEMBL2218274 0.75 RPS6KB2 (0.50) RPS6KB2KDM4EALDH1A1KMT2AMEN1
SCHEMBL28454459 0.75 RPS6KB2 (0.50) RPS6KB2KDM4EALDH1A1KMT2AMEN1
SCHEMBL16291133 0.74 L3MBTL1 (0.57) RPS6KB2KDM4EALDH1A1KMT2AMEN1
SCHEMBL3545 0.74 L3MBTL1 (0.57) RPS6KB2KDM4EALDH1A1KMT2AMEN1
SCHEMBL13977912 0.74 KDM4E (0.52) RPS6KB2KDM4EALDH1A1KMT2AMEN1
SCHEMBL29350983 0.73 CDK5 (0.45) RPS6KB2KDM4EALDH1A1KMT2AMEN1
Fluoride SCHEMBL491501 0.72 L3MBTL1 (0.55) RPS6KB2KDM4EALDH1A1KMT2AMEN1
Hydrogen Sulfide SCHEMBL22588115 0.72 L3MBTL1 (0.55) RPS6KB2KDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673183-B2 Tetrazine monomers and copolymers for use in organic electronic devices NATIONAL RESEARCH COUNCIL OF CANADA 2014-03-18 US disclosed
US-20120007026-A1 TETRAZINE MONOMERS AND COPOLYMERS FOR USE IN ORGANIC ELECTRONIC DEVICES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2012-01-12 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 (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-20120007026-A1 TETRAZINE MONOMERS AND COPOLYMERS FOR USE IN ORGANIC ELECTRONIC DEVICES CCNE1, CCNE2, WEE1 RPS6KB2 3200/4885KDM4E 2137/4885ALDH1A1 1407/4885

“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.