SCHEMBL2990716

SCHEMBL2990716

CN1CCN(Cc2c(C(=O)O)sc3c(-c4ccccc4)c(-c4ccc(Cl)cc4)n(CC(=O)N4CCOCC4)c23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.43
TYMS P04818 6/20 0.43
LTA4H P09960 6/20 0.43
VDR P11473 6/20 0.43
SRC P12931 6/20 0.43
MAPK1 P28482 6/20 0.43
CTSK P43235 6/20 0.43
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
PTGS2 P35354 2/20 0.39
BCL2L1 Q07817 1/20 0.38
TACR1 P25103 1/20 0.38
POLB P06746 1/20 0.37
PIK3CA P42336 1/20 0.37
AKR1C3 P42330 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2995608 0.93 EGFR (0.44) EGFRTYMSLTA4HVDRSRC
SCHEMBL2997790 0.91 EGFR (0.43) EGFRTYMSLTA4HVDRSRC
SCHEMBL2986511 0.91 MAPK1 (0.41) EGFRTYMSLTA4HVDRSRC
SCHEMBL2989236 0.86 EGFR (0.44) EGFRTYMSLTA4HVDRSRC
SCHEMBL5233165 0.85 EGFR (0.48) EGFRTYMSLTA4HVDRSRC
SCHEMBL2990712 0.85 EGFR (0.41) EGFRTYMSLTA4HVDRSRC
SCHEMBL2992076 0.84 EGFR (0.43) EGFRTYMSLTA4HVDRSRC
SCHEMBL2994297 0.84 EGFR (0.42) EGFRTYMSLTA4HVDRSRC
SCHEMBL2998571 0.83 BCL2L1 (0.49) TP53MDM2BCL2L1TACR1KDM4E
SCHEMBL2995093 0.82 EGFR (0.42) EGFRTYMSLTA4HVDRSRC

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 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
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 EGFR 3850/4885TYMS 67/4885LTA4H 1710/4885

“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.