SCHEMBL4548645

SCHEMBL4548645

CC(C)(C)c1cnc2nc(C(C)(C)C)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.33
TSHR P16473 1/20 0.31
NR1I2 O75469 1/20 0.30
CCR9 P51686 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
SCHEMBL22521385 0.80 BACE1 (0.39) TDO2
SCHEMBL13208465 0.80 SMN1; SMN2 (0.41)
SCHEMBL14044798 0.77 PARP1 (0.36) CCR9
SCHEMBL23896693 0.76 CCR9 (0.35) CCR9
SCHEMBL8272414 0.74 CCR1 (0.40) TSHR
SCHEMBL14327674 0.74 CCR1 (0.52) TDO2TSHR
SCHEMBL26795813 0.73
SCHEMBL23456596 0.73 TSHR (0.32) TSHR
SCHEMBL26797949 0.72 EGFR (0.36)
SCHEMBL12416706 0.70 ALDH1A1 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 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 (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-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET TDO2 3167/4885TSHR 3003/4885NR1I2 1741/4885

“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.