SCHEMBL3777290

SCHEMBL3777290

N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)nc3)s2)cn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 4/20 0.53
NQO2 P16083 2/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
PRF1 P14222 1/20 0.44
APP P05067 3/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
IKBKB O14920 1/20 0.36

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
Hydrochloric Acid SCHEMBL3783268 0.98 PRMT1 (0.51) PRMT1NQO2KDM4EALDH1A1GAA
SCHEMBL8973334 0.84 PRMT1 (0.59) PRMT1KDM4EALDH1A1MKNK1MKNK2
SCHEMBL13018325 0.81 PRF1 (0.44) PRMT1NQO2KDM4EALDH1A1GAA
SCHEMBL8975508 0.77 PRMT1 (0.71) PRMT1NQO2ALDH1A1MKNK1MKNK2
SCHEMBL2009167 0.77 PRMT1 (0.57) PRMT1NQO2KDM4EALDH1A1MKNK1
Hydrochloric Acid SCHEMBL2012811 0.76 PRMT1 (0.55) PRMT1KDM4EALDH1A1MKNK1MKNK2
SCHEMBL3788601 0.72 PRMT1 (0.58) PRMT1NQO2ALDH1A1
SCHEMBL8975569 0.72 PRMT1 (0.63) PRMT1NQO2ALDH1A1
SCHEMBL1483888 0.71 PRMT1 (0.46) PRMT1KDM4E
SCHEMBL28022519 0.71 PRMT1 (0.46) PRMT1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331368-A1 2,5-DIARYL SELENOPHENE COMPOUNDS, AZA 2,5-DIARYL THIOPHENE COMPOUNDS, AND THEIR PRODRUGS AS ANTIPROTOZOAL AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2010-12-30 US claimed
WO-2009051796-A2 2,5-DIARYL SELENOPHENE COMPOUNDS, AZA 2,5-DIARYL THIOPHENE COMPOUNDS, AND THEIR PRODRUGS AS ANTIPROTOZOAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-04-23 WO claimed
US-20100331368-A1 2,5-DIARYL SELENOPHENE COMPOUNDS, AZA 2,5-DIARYL THIOPHENE COMPOUNDS, AND THEIR PRODRUGS AS ANTIPROTOZOAL AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2010-12-30 US disclosed
WO-2009051796-A2 2,5-DIARYL SELENOPHENE COMPOUNDS, AZA 2,5-DIARYL THIOPHENE COMPOUNDS, AND THEIR PRODRUGS AS ANTIPROTOZOAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-04-23 WO 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-20100331368-A1 2,5-DIARYL SELENOPHENE COMPOUNDS, AZA 2,5-DIARYL THIOPHENE COMPOUNDS, AND THEIR PRODRUGS AS ANTIPROTOZOAL AGENTS SELENOI, SCLY, GPX4 PRMT1 788/4885NQO2 973/4885KDM4E 340/4885

“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.