SCHEMBL2993837

SCHEMBL2993837

COC(=O)c1cc2[nH]c(-c3ccccc3)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 1/20 0.43
CSNK2A2 P19784 1/20 0.43
AKT1 P31749 1/20 0.43
PLK1 P53350 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
ALDH1A1 P00352 7/20 0.43
HPGD P15428 5/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43

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
SCHEMBL27642195 0.87 BCL2L1 (0.53) CSNK2A1HPGDTUBB4ATUBBTUBA3C
SCHEMBL2988657 0.86 CCNC (0.46) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL27662610 0.78 ALDH1A1 (0.49) PAK4CSNK2A2AKT1PLK1CSNK2B
SCHEMBL28786646 0.76 CSNK2A2 (0.44) CSNK2A2CSNK2BCSNK2A1ALDH1A1HPGD
SCHEMBL3935796 0.75 RHEB (0.37) CSNK2A2CSNK2BCSNK2A1ALDH1A1HPGD
SCHEMBL15615654 0.75 CSNK2A2 (0.40) PAK4CSNK2A2AKT1PLK1CSNK2B
SCHEMBL2156359 0.75 LMNA (0.44) PAK4CSNK2A2AKT1PLK1CSNK2B
SCHEMBL2860791 0.75 HPGD (0.40) CSNK2A2CSNK2A1ALDH1A1HPGDMAPT
SCHEMBL424278 0.75 GABRA1 (0.48) ALDH1A1HPGDTUBB4ATUBBTUBA3C
SCHEMBL12597703 0.74 HDAC1 (0.52) ALDH1A1HPGDMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP disclosed
CN-1849323-A Thienopyrroles as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2006-10-18 CN disclosed
EP-1664059-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-06-07 EP disclosed
WO-2005023819-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-03-17 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 (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-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT PAK4 1466/4885CSNK2A2 1375/4885AKT1 2737/4885

“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.