SCHEMBL2987900

SCHEMBL2987900

COC(=O)c1cc2[nH]c(-c3ccccc3)c(C3CCCCC3)c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.39
KDR P35968 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
PLK1 P53350 1/20 0.39
CCNA1 P78396 1/20 0.39
HTR2C P28335 5/20 0.38
KCNH2 Q12809 5/20 0.38
DRD2 P14416 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAT2A P31153 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
PLK4 O00444 1/20 0.37
PDPK1 O15530 1/20 0.37
DAPK3 O43293 1/20 0.37

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
SCHEMBL2995078 0.99 HTR2A (0.39) HTR2AKDRCCNA2CDK2PLK1
SCHEMBL2995670 0.90 HTR2A (0.42) HTR2AKDRCCNA2CDK2PLK1
SCHEMBL3000692 0.89 SLC6A3 (0.40) ALDH1A1HPGDKDM4ESLC6A3NR1H4
SCHEMBL2995376 0.88 HTR2A (0.43) HTR2AKDRCCNA2CDK2PLK1
SCHEMBL2156442 0.86 KDM4E (0.41) ALDH1A1HPGDKDM4EATMNR1H4
SCHEMBL2868300 0.85 KDM4E (0.41) ALDH1A1HPGDKDM4EATMNR1H4
SCHEMBL5230100 0.83 HTR2A (0.39) HTR2AKDRCCNA2CDK2PLK1
SCHEMBL2157791 0.83 KDM4E (0.39) ALDH1A1HPGDKDM4EATMNR1H4
SCHEMBL5231827 0.82 HTR2A (0.40) HTR2AHTR2CKCNH2DRD2MAT2A
SCHEMBL2156348 0.81 CSNK2A2 (0.35) KDRALDH1A1HPGDKDM4EHTT

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 7 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-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 HTR2A 1425/4885KDR 4513/4885CCNA2 372/4885

“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.