SCHEMBL6217643

SCHEMBL6217643

O=C(O)CSCc1nc(NCc2ccc(F)cc2Cl)c2c3c(sc2n1)CCCC3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
PTGS2 P35354 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
TGM2 P21980 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PRNP P04156 1/20 0.38

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
SCHEMBL6215666 0.91 MEN1 (0.47) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL6216473 0.88 PTGS2 (0.47) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL6217795 0.87 MAPT (0.44) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL6212899 0.87 KMT2A (0.52) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL6217416 0.85 MAPT (0.43) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL6796443 0.85 MAPT (0.43) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL6218134 0.84 PDE5A (0.46) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL6213101 0.84 MEN1 (0.47) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL6219353 0.83 MEN1 (0.52) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL6216645 0.81 PDE5A (0.57) MAPTALDH1A1KDM4EKMT2AMEN1

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 MAPT 4330/4885ALDH1A1 164/4885KDM4E 2723/4885

“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.