SCHEMBL6214705

SCHEMBL6214705

CC(OCC(=O)O)c1nc(NCc2ccc(F)cc2)c2c3c(sc2n1)CCCC3

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PDE5A O76074 1/20 0.45
PRKCI P41743 10/20 0.45
PTGS2 P35354 3/20 0.44
POLB P06746 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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 0.93 PDE5A (0.53) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6214601 0.92 KMT2A (0.62) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6211500 0.91 KMT2A (0.51) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6217377 0.91 MAPT (0.45) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6211516 0.90 MAPT (0.50) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6215341 0.89 KMT2A (0.41) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6214813 0.87 HTT (0.46) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6218405 0.86 MAPT (0.46) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6213558 0.85 PRKCI (0.49) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6796696 0.85 PTPN12 (0.48) 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.