SCHEMBL890078

SCHEMBL890078

Cc1ncc2cc(C(C)C)[nH]c2n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.36
TSHR P16473 1/20 0.35
PDK4 Q16654 2/20 0.34
PDK1 Q15118 1/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31

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
SCHEMBL12978392 0.80 TSHR (0.32) TSHRIKBKBCHUK
SCHEMBL12829581 0.77 TSHR (0.31) TSHR
SCHEMBL12810050 0.77 IKBKB (0.34) TSHRIKBKBCHUK
SCHEMBL890136 0.76 PDK2 (0.40) PDK2PDK4PDK1
SCHEMBL12938123 0.76 TSHR (0.37) TSHRIKBKBCHUK
SCHEMBL13424883 0.74 EGFR (0.35) TSHR
SCHEMBL12824312 0.73 PDK2 (0.38) PDK2PDK4PDK1
SCHEMBL11407828 0.73 DHFR (0.37)
SCHEMBL23677066 0.73 HDAC6 (0.53)
SCHEMBL890252 0.72 TSHR (0.39) TSHR

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-8221737-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 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 (6 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 PDK2 2746/4885TSHR 4687/4885PDK4 2851/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 PDK2 2746/4885TSHR 4687/4885PDK4 2851/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 PDK2 2746/4885TSHR 4687/4885PDK4 2851/4885
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 PDK2 2762/4885TSHR 4674/4885PDK4 2823/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 PDK2 2762/4885TSHR 4674/4885PDK4 2823/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 PDK2 2762/4885TSHR 4674/4885PDK4 2823/4885

“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.