SCHEMBL2998612

SCHEMBL2998612

O=C(O)c1cc2c(s1)c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
CCR2 P41597 1/20 0.42
MAPK8 P45983 5/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
PTGES O14684 1/20 0.39
GPR35 Q9HC97 1/20 0.39
NOTUM Q6P988 1/20 0.39
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
SERPINE1 P05121 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NTRK1 P04629 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL428663 0.89 NR4A2 (0.51) MDM2PTGES
SCHEMBL4864996 0.82 MAPK14 (0.40) FEN1KDM4EKMT2ASMN1; SMN2PKM
SCHEMBL2992063 0.82 KDM4E (0.39) ARMAPK8KDM4EKMT2A
SCHEMBL2996558 0.81 ALDH1A1 (0.45) ARCCR2MAPK8MDM4MDM2
SCHEMBL2998608 0.81 CNR1 (0.37) CCR2ERCC5FEN1KDM4EKMT2A
SCHEMBL2997718 0.80 GRIN2B (0.40) KDM4ESMN1; SMN2
SCHEMBL2994263 0.79 ALOX5 (0.36) ARMAPK8MDM4MDM2PTGES
SCHEMBL2997472 0.78 ALDH1A1 (0.44) GPR35KDM4EKMT2ASMN1; SMN2PKM
SCHEMBL2987941 0.77 GRIN2B (0.38) MDM4MDM2
SCHEMBL424110 0.76 NR4A2 (0.47) MDM2KDM4EKMT2ASMN1; SMN2

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 13 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 claimed
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 AR 508/4885CCR2 913/4885MAPK8 4356/4885

“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.