SCHEMBL897077

SCHEMBL897077

COc1c(Br)cc(-c2cn(C)c(=O)[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.39
EGFR P00533 1/20 0.39
CYP3A4 P08684 3/20 0.32
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS2 P35354 2/20 0.32
KDR P35968 1/20 0.31
CRBN Q96SW2 1/20 0.31
PIM1 P11309 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
ADORA2A P29274 1/20 0.30

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
SCHEMBL896914 0.80 ALDH1A1 (0.47) ERBB2EGFRCYP3A4GRIN2DGRIN3B
SCHEMBL6832576 0.76 CYP3A4 (0.49) CYP3A4MEN1KMT2AADORA2AADORA1
SCHEMBL896621 0.72 CRBN (0.64) CYP3A4CRBN
SCHEMBL1764328 0.72 CYP3A4 (0.69) CYP3A4CRBN
SCHEMBL1764326 0.72 CYP3A4 (0.69) CYP3A4CRBN
SCHEMBL6765715 0.72 ERBB2 (0.44) ERBB2EGFRCYP3A4GRIN2DGRIN3B
SCHEMBL896799 0.69 ALDH1A1 (0.46) ERBB2EGFRGRIN2DGRIN3BGRIN1
SCHEMBL12338478 0.67 DAO (0.40) CYP3A4KMT2ACRBNADORA2A
SCHEMBL6766207 0.67 ERBB2 (0.38) ERBB2EGFRPTGS2ADORA2AADORA1
SCHEMBL13164234 0.66 ALDH1A1 (0.48) ERBB2EGFRCYP3A4PTGS2KDR

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-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 US disclosed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 EP disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 US disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 US disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 US 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 (3 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-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 ERBB2 4732/4885EGFR 4055/4885CYP3A4 1569/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 ERBB2 4732/4885EGFR 4055/4885CYP3A4 1569/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 ERBB2 4732/4885EGFR 4055/4885CYP3A4 1569/4885

“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.