SCHEMBL2988735

SCHEMBL2988735

O=C(O)c1cc2c(s1)c(-c1ccccc1)c(-c1ccccc1)n2CC(=O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
EGFR P00533 1/20 0.49
TYMS P04818 1/20 0.49
LTA4H P09960 1/20 0.49
VDR P11473 1/20 0.49
SRC P12931 1/20 0.49
CTSK P43235 1/20 0.49
PTGS2 P35354 1/20 0.47
GRIN2B Q13224 5/20 0.47
HSD17B10 Q99714 3/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL2996625 0.94 MAPK1 (0.48) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2997044 0.94 EGFR (0.48) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2995706 0.92 PTGS2 (0.44) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL424160 0.92 PTGS2 (0.48) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2997178 0.91 EGFR (0.44) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2996607 0.89 ALDH1A1 (0.43) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL4878860 0.88 GRIN2B (0.46) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL4872858 0.88 BRD4 (0.45) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2995098 0.86 MAPK1 (0.44) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2990441 0.86 GRIN2B (0.42) MAPK1EGFRTYMSLTA4HVDR

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 12 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-A9 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2006-03-23 WO 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
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-A9 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2006-03-23 WO 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 MAPK1 3424/4885EGFR 3850/4885TYMS 67/4885

“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.