SCHEMBL6796341

SCHEMBL6796341

O=C(O)COCCc1nc(NCc2cccc(F)c2)c2c3c(sc2n1)CCCC3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.44
MAPT P10636 7/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 4/20 0.43
TP53 P04637 3/20 0.43
EGFR P00533 1/20 0.42
PTGS2 P35354 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TGM2 P21980 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.40
PRKCI P41743 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
SCHEMBL6212718 0.92 PDE5A (0.46) PDE5AMAPTMEN1KMT2ANPSR1
SCHEMBL6797560 0.91 KMT2A (0.49) PDE5AMAPTMEN1KMT2ANPSR1
SCHEMBL6795549 0.90 PDE5A (0.54) PDE5AMAPTMEN1KMT2ANPSR1
SCHEMBL6798810 0.86 MAPT (0.45) PDE5AMAPTMEN1KMT2ANPSR1
SCHEMBL6796443 0.86 MAPT (0.43) PDE5AMAPTMEN1KMT2ANPSR1
SCHEMBL6218134 0.85 PDE5A (0.46) PDE5AMAPTMEN1KMT2ANPSR1
SCHEMBL6798804 0.85 KMT2A (0.62) PDE5AMAPTMEN1KMT2ANPSR1
SCHEMBL6790737 0.85 KMT2A (0.49) PDE5AMAPTMEN1KMT2ANPSR1
SCHEMBL6796897 0.85 MAPT (0.46) PDE5AMAPTMEN1KMT2ANPSR1
SCHEMBL6796700 0.84 PTPN12 (0.49) PDE5AMAPTMEN1KMT2ANPSR1

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 PDE5A 10/4885MAPT 4330/4885MEN1 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.