SCHEMBL3987619

SCHEMBL3987619

Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(C(C)(C)C#N)c(Cl)c4)(C4CCCC4)OC3=O)nc2n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
POLB P06746 5/20 0.32
TP53 P04637 5/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 1/20 0.32
PDE10A Q9Y233 2/20 0.30

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
SCHEMBL4479474 1.00 TSHR (0.34) TSHRPOLBTP53RXFP1MAPT
SCHEMBL4479471 1.00 TSHR (0.34) TSHRPOLBTP53RXFP1MAPT
SCHEMBL4470441 0.92 TSHR (0.34) TSHRPOLBPDE10A
SCHEMBL4470443 0.92 TSHR (0.34) TSHRPOLBPDE10A
SCHEMBL3986418 0.92 TSHR (0.34) TSHRPOLBPDE10A
SCHEMBL4468987 0.92 TSHR (0.35) TSHRPOLBTP53RXFP1MAPT
SCHEMBL4471099 0.91 TSHR (0.33) TSHRPDE10A
SCHEMBL6790427 0.90 TSHR (0.36) TSHRPOLBTP53RXFP1MAPT
SCHEMBL3987690 0.89 TSHR (0.39) TSHRPOLBTP53RXFP1MAPT
SCHEMBL1581590 0.89 TSHR (0.32) TSHRPOLBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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-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-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") PFIZER INC. 2007-10-04 US disclosed
EP-1802619-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer, Inc. (US) 2007-07-04 EP 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
WO-2006027694-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2006-03-16 WO 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 (3 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-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") AP1M1, AP1G1, AP3B1 TSHR 4853/4885POLB 1592/4885TP53 3871/4885
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 TSHR 3884/4885POLB 159/4885TP53 897/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 TSHR 3884/4885POLB 159/4885TP53 897/4885

“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.