SCHEMBL6796443

SCHEMBL6796443

O=C(O)COCCc1nc(NCc2ccc(F)cc2Cl)c2c3c(sc2n1)CCCC3

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGS2 P35354 4/20 0.38
PDE5A O76074 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
HSD11B1 P28845 1/20 0.36
PRKCI P41743 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL6796947 0.92 MEN1 (0.45) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL6217795 0.92 MAPT (0.44) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL6791788 0.89 PTGS2 (0.44) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL6797560 0.88 KMT2A (0.49) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL6796341 0.86 PDE5A (0.44) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL6798810 0.86 MAPT (0.45) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL6217643 0.85 MAPT (0.45) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL6790737 0.85 KMT2A (0.49) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL6214119 0.84 MEN1 (0.46) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL6795549 0.83 PDE5A (0.54) MAPTKMT2AMEN1HTTSMN1; 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 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 MAPT 4330/4885KMT2A 3197/4885MEN1 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.