SCHEMBL2993953

SCHEMBL2993953

O=C(O)c1cc2c(-c3ccccc3)c(-c3ccccc3)[nH]c2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
PIM1 P11309 2/20 0.49
MAPT P10636 1/20 0.49
GFER P55789 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
CHEK2 O96017 1/20 0.43
CDK1 P06493 1/20 0.43
PRKACA P17612 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1D P48730 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
RPS6KA3 P51812 1/20 0.43
CSNK2A1 P68400 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
SCHEMBL2995574 0.82 ALDH1A1 (0.48) KDM4EMAPTTDP1ALDH1A1HPGD
SCHEMBL2993952 0.76 KDR (0.43) KDM4EPIM1PLK4AURKADAPK3
SCHEMBL2995674 0.76 KDM4E (0.46) KDM4EPIM1MAPTGFERTDP1
SCHEMBL5439441 0.73 KDM4E (0.46) KDM4EPIM1TDP1PLK4AURKA
SCHEMBL6417097 0.71 KDM4E (0.52) KDM4EPIM1PLK4AURKADAPK3
SCHEMBL2997444 0.70 MAP2 (0.44) KDM4EPIM1MAPTGFERTDP1
SCHEMBL2284207 0.68 PPARG (0.63) KDM4EPIM1MAPTGFERTDP1
SCHEMBL14902909 0.66 PLK4 (0.43) KDM4EPIM1PLK4AURKADAPK3
SCHEMBL10990966 0.66 ESR1 (0.71) KDM4EPIM1MAPTGFERTDP1
SCHEMBL6691511 0.66 KDM4E (1.00) KDM4EPIM1MAPTGFERTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US claimed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed
JP-2007505091-A 2007-03-08 JP claimed
EP-1664059-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-06-07 EP claimed
WO-2005023819-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-03-17 WO claimed
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

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 KDM4E 3250/4885PIM1 4191/4885MAPT 4452/4885

“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.