SCHEMBL6213312

SCHEMBL6213312

Cc1ccc(CNc2nc(CSCC(=O)O)nc3sc4c(c23)CCCC4)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.65
MEN1 O00255 7/20 0.65
MAPT P10636 4/20 0.65
HTT P42858 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
NPSR1 Q6W5P4 1/20 0.65
TP53 P04637 1/20 0.52
PDE5A O76074 1/20 0.48
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
PRKCI P41743 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2D6 P10635 2/20 0.44
LMNA P02545 1/20 0.44
PTGS2 P35354 1/20 0.44
POLB P06746 2/20 0.44
CYP3A4 P08684 2/20 0.44

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
SCHEMBL6216645 0.92 PDE5A (0.57) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6212899 0.90 KMT2A (0.52) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6219353 0.90 MEN1 (0.52) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6216459 0.90 MAPT (0.52) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6213101 0.86 MEN1 (0.47) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6214440 0.86 KMT2A (0.64) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6217931 0.86 MAPT (0.47) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6218134 0.84 PDE5A (0.46) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6798804 0.84 KMT2A (0.62) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6798377 0.84 PTPN12 (0.55) KMT2AMEN1MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351962-B1 THIENOPYRIMIDINE MERCK PATENT GMBH (DE) 2005-03-16 EP disclosed
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 KMT2A 3197/4885MEN1 2082/4885MAPT 4330/4885

“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.