SCHEMBL6794481

SCHEMBL6794481

Cc1cc(C)n2nc(CC3=C(O)CC(CCc4cc(F)c(C(C)(C)C#N)c(F)c4)(C4CCCC4)OC3=O)nc2n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.31
POLB P06746 1/20 0.31
PDE10A Q9Y233 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 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
SCHEMBL4470441 0.91 TSHR (0.34) TSHRPOLBPDE10AALDH1A1
SCHEMBL4470443 0.91 TSHR (0.34) TSHRPOLBPDE10AALDH1A1
SCHEMBL3986418 0.91 TSHR (0.34) TSHRPOLBPDE10AALDH1A1
SCHEMBL3988841 0.89
SCHEMBL6790427 0.89 TSHR (0.36) TSHRRECQLPOLBPDE10AALDH1A1
SCHEMBL1581447 0.87 TSHR (0.41) TSHRRECQLPOLBPDE10AALDH1A1
SCHEMBL6218952 0.87
SCHEMBL4471099 0.86 TSHR (0.33) TSHRPDE10A
SCHEMBL3987524 0.86
SCHEMBL3992331 0.86

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
US-20040224960-A1 Pharmaceutical compositions and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-11-11 US 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-20040224960-A1 Pharmaceutical compositions and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-11-11 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-20040224960-A1 Pharmaceutical compositions and methods for their use CYP3A5, CYP3A7, CYP3A43 TSHR 4432/4885RECQL 1100/4885POLB 1139/4885

“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.