SCHEMBL3986559

SCHEMBL3986559

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.38
PDE10A Q9Y233 1/20 0.38
RECQL P46063 1/20 0.37
ALDH1A1 P00352 6/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 3/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL3993364 0.93 PDE10A (0.38) PDE2APDE10ARECQLALDH1A1HSD17B10
SCHEMBL4470494 0.88 ALDH1A1 (0.35) PDE10ARECQLALDH1A1ATMPOLB
SCHEMBL3989266 0.88 TSHR (0.36) PDE2APDE10ARECQLALDH1A1ATM
SCHEMBL4103728 0.86 ALDH1A1 (0.46) PDE2APDE10ARECQLALDH1A1HSD17B10
SCHEMBL3993188 0.85 PDE10A (0.34) PDE10ARECQLALDH1A1HSD17B10MAPK1
SCHEMBL4470160 0.85 PDE10A (0.35) PDE10ARECQLALDH1A1HSD17B10MAPK1
SCHEMBL3988141 0.84 TSHR (0.38) PDE2APDE10ARECQLALDH1A1POLB
SCHEMBL3987906 0.84 ALDH1A1 (0.38) PDE10ARECQLALDH1A1HSD17B10POLB
SCHEMBL13939538 0.84 KMT2A (0.35) PDE2APDE10ARECQLALDH1A1HSD17B10
SCHEMBL12340534 0.84 TSHR (0.48) PDE10ARECQLALDH1A1HSD17B10POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 WO 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 (2 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-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 PDE2A 1951/4885PDE10A 2955/4885RECQL 579/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 PDE2A 1951/4885PDE10A 2955/4885RECQL 579/4885

“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.