SCHEMBL19726596

SCHEMBL19726596

Cc1c(-c2ccnnc2)cccc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
KIF11 P52732 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
PTPN5 P54829 1/20 0.31
LATS1 O95835 1/20 0.30
NOTUM Q6P988 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
SCHEMBL19726599 0.81 KIF11 (0.44) CA2GABRA1GABRB2ALDH1A1PDCD1
SCHEMBL19726603 0.80 KIF11 (0.49) ALDH1A1KIF11
SCHEMBL18378750 0.79 TRPA1 (0.39) ALDH1A1TRPA1HCRTR1HCRTR2PDCD1
SCHEMBL8679577 0.74 PDCD1 (0.50) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL23066174 0.73 CD274 (0.46) GABRA1GABRB2TRPA1HCRTR1HCRTR2
SCHEMBL18367725 0.73 GABRA1 (0.38) CA2GABRA1GABRB2TSHRTRPA1
SCHEMBL19726594 0.73 AKT1 (0.43) CA2GABRA1GABRB2TRPA1
SCHEMBL17194969 0.72 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL17194966 0.71 PDK2 (0.45)
SCHEMBL5318296 0.71 TRPA1 (0.41) CA2ALDH1A1TSHRTRPA1

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-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 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 (2 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CA2 478/4885GABRA1 1992/4885GABRB2 840/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS CA2 478/4885GABRA1 1992/4885GABRB2 840/4885

“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.