SCHEMBL8577487

SCHEMBL8577487

COc1nc(N)sc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.36
WDR5 P61964 1/20 0.36
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
GSK3A P49840 1/20 0.31

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
SCHEMBL8579155 0.79 HSD17B10 (0.37) MYCWDR5ALDH1A1KDM4EL3MBTL1
SCHEMBL22577131 0.78 RECQL (0.34) ALDH1A1KDM4ESMN1; SMN2L3MBTL1NPSR1
SCHEMBL22577269 0.76 RECQL (0.33) ALDH1A1KDM4ESMN1; SMN2L3MBTL1NPSR1
SCHEMBL10350066 0.72
SCHEMBL8555731 0.72
SCHEMBL5154943 0.72
SCHEMBL4305992 0.72
SCHEMBL5537146 0.70 KDM4E (0.34) ALDH1A1KDM4ESMN1; SMN2HPGDCYP3A4
SCHEMBL17951012 0.70 MYC (0.64) MYCWDR5ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9479129 0.68

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-5811554-A REACTING AN IMINOETHER WITH A HALOGENATING AGENT AND THIOUREA; USED IN MAKING NOVEL AZO DYES AGFA-GEVAERT, N.V. (BE) 1998-09-22 US claimed
EP-0687674-A1 Preparation of 2-amino-4-alkoxythiazoles being negatively substituted in the 5 position AGFA-GEVAERT N.V. (BE) 1995-12-20 EP claimed
JP-8003151-A None JP disclosed
US-20200337311-A1 FLUORALKENYL COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF PI INDUSTRIES LTD. (IN) 2020-10-29 US disclosed
US-20200337311-A1 FLUORALKENYL COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF PI INDUSTRIES LTD. (IN) 2020-10-29 US disclosed
EP-3728204-A1 FLUORALKENYL COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF PI Industries Ltd. (IN) 2020-10-28 EP disclosed
CN-111670180-A Fluoroalkenyl compounds, process for their preparation and their use PI工业有限公司 2020-09-15 CN disclosed
US-5811554-A REACTING AN IMINOETHER WITH A HALOGENATING AGENT AND THIOUREA; USED IN MAKING NOVEL AZO DYES AGFA-GEVAERT, N.V. (BE) 1998-09-22 US disclosed
JP-H083151-A PRODUCTION OF 2-AMONO-4-ALKOXYTHIAZOLE NEGATIVELY SUBSTITUTED AT 5-POSITION AGFA GEVAERT NV 1996-01-09 JP disclosed
EP-0687674-A1 Preparation of 2-amino-4-alkoxythiazoles being negatively substituted in the 5 position AGFA-GEVAERT N.V. (BE) 1995-12-20 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 (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-20200337311-A1 FLUORALKENYL COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF PFAS, C1S, AFF1 MYC 2232/4885WDR5 3152/4885ALDH1A1 1593/4885

“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.