SCHEMBL2863436

SCHEMBL2863436

COC(=O)c1cc2[nH]c(B3OC(C)(C)C(C)(C)O3)c(C3CCCCC3)c2s1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.35
ADRA1B P35368 1/20 0.31
CSNK2A2 P19784 1/20 0.31
KDR P35968 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL13476672 0.80 NPC1 (0.30) HIF1A
SCHEMBL2156348 0.80 CSNK2A2 (0.35) ADRA1BCSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL13476664 0.78 HIF1A (0.31) HIF1A
SCHEMBL772380 0.78 PARP1 (0.43) HIF1ACSNK2A1
SCHEMBL2863437 0.75 LMNA (0.38) CSNK2A2CSNK2BCSNK2A1
SCHEMBL2987900 0.74 HTR2A (0.39) KDRNR1H4
SCHEMBL2995078 0.73 HTR2A (0.39) ADRA1BKDR
SCHEMBL3000692 0.73 SLC6A3 (0.40) NR1H4
SCHEMBL2156442 0.72 KDM4E (0.41) ADRA1BNR1H4
SCHEMBL2868300 0.71 KDM4E (0.41) ADRA1BNR1H4

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-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 HIF1A 4221/4885ADRA1B 3294/4885CSNK2A2 1992/4885

“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.