SCHEMBL6790737

SCHEMBL6790737

O=C(O)COCCc1nc(NCc2ccc(Cl)cc2)c2c3c(sc2n1)CCCC3

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 1/20 0.49
PDE5A O76074 1/20 0.46
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
STAT3 P40763 1/20 0.43
PTGS2 P35354 5/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PARP14 Q460N5 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6795549 0.93 PDE5A (0.54) KMT2ASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL6798804 0.91 KMT2A (0.62) KMT2ASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL6797560 0.91 KMT2A (0.49) KMT2ASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL6212492 0.91 KMT2A (0.51) KMT2ASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL6798810 0.90 MAPT (0.45) KMT2ASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL6796947 0.90 MEN1 (0.45) KMT2ASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL6791118 0.89 MAPT (0.50) KMT2ASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL6791788 0.88 PTGS2 (0.44) KMT2ASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL6797221 0.87 MAPT (0.44) KMT2ASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL6796341 0.85 PDE5A (0.44) KMT2ASMN1; SMN2NPSR1MAPTMEN1

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 KMT2A 3197/4885SMN1; SMN2 1225/4885NPSR1 2382/4885

“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.