SCHEMBL6796696

SCHEMBL6796696

CC(OCC(=O)O)c1nc(NCc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.48
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CHRM4 P08173 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
PDE5A O76074 3/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL6211504 0.86 PDE5A (0.53) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL6214813 0.86 HTT (0.46) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL6214601 0.86 KMT2A (0.62) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL6218405 0.85 MAPT (0.46) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL6214705 0.85 KMT2A (0.51) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL6211500 0.85 KMT2A (0.51) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL6217377 0.85 MAPT (0.45) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL6211516 0.84 MAPT (0.50) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL6213742 0.83 MAPT (0.44) MEN1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL6796892 0.83 PTPN12 (0.50) PTPN12PTPN22MEN1HTTKMT2A

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-6780867-B2 THEY EXHIBIT SPECIFIC INHIBITION OF CGMP PHOSPHODIESTERASE (PDE V) MERCK PATENT GMBH (DE) 2004-08-24 US disclosed
US-20030187260-A1 Thienopyrimidines MERCK PATENT GMBH (DE) 2003-10-02 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-20030187260-A1 Thienopyrimidines TYMP, DPYD, IMPDH1 PTPN12 1112/4885PTPN22 1078/4885MEN1 2082/4885

“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.