SCHEMBL5111381

SCHEMBL5111381

Cc1ccc2[nH]c(C(C)NC(=O)OC(C)(C)C)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.47
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 2/20 0.42
BCHE P06276 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40

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
SCHEMBL26502047 0.88 AAK1 (0.46) AAK1TSHRMEN1KMT2ATHRB
SCHEMBL4154097 0.87 AAK1 (0.46) AAK1TSHRL3MBTL1PRCPLMNA
SCHEMBL28586691 0.87 AAK1 (0.46) AAK1TSHRL3MBTL1PRCPLMNA
SCHEMBL12798924 0.86 AAK1 (0.48) AAK1TSHRL3MBTL1BCHEATM
SCHEMBL12432831 0.86 L3MBTL1 (0.46) AAK1TSHRL3MBTL1BCHEALDH1A1
SCHEMBL7921079 0.85 AAK1 (0.47) AAK1TSHRL3MBTL1BCHEATM
SCHEMBL1391519 0.85 L3MBTL1 (0.47) AAK1TSHRMEN1KMT2AL3MBTL1
SCHEMBL8330091 0.84 TSHR (0.59) AAK1TSHRKMT2AL3MBTL1BCHE
SCHEMBL6304376 0.84 TSHR (0.59) AAK1TSHRKMT2AL3MBTL1BCHE
SCHEMBL2505196 0.82 AAK1 (0.48) AAK1TSHRKMT2AL3MBTL1PRCP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 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 (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-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ AAK1 1394/4885TSHR 3184/4885MEN1 4873/4885

“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.