SCHEMBL19224384

SCHEMBL19224384

CC(C)c1nc2cccc(C(C)C)c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
GABRA1 P14867 3/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
GABRB2 P47870 2/20 0.38
TSHR P16473 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL8051929 0.81 TLR8 (0.46) TLR8TLR7GABRA1GABRG2GABRB3
SCHEMBL14274193 0.81 TLR8 (0.46) TLR8TLR7HPGDLMNALOXL2
SCHEMBL18368366 0.81 RAB9A (0.40) TLR8TLR7GABRA1GABRG2GABRB3
SCHEMBL17250000 0.80 PSMB8 (0.51) TLR8TLR7HPGDCYP3A4TRPV1
SCHEMBL18905196 0.80 SMN1; SMN2 (0.44) TLR8TLR7GABRA1GABRG2GABRB3
SCHEMBL19598890 0.80 TLR8 (0.46) TLR8TLR7CYP3A4LOXL2MAPT
SCHEMBL8054620 0.79 TLR8 (0.44) TLR8TLR7HPGDLMNATSHR
SCHEMBL15866356 0.77 TLR8 (0.43) TLR8TLR7GABRA1GABRB2LOXL2
SCHEMBL24256511 0.76 PSMB8 (0.59) GABRA1GABRG2GABRB3HPGDLMNA
SCHEMBL17050432 0.75 ACACB (0.41) TLR8TLR7LMNACYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043400-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2023-02-09 US disclosed
US-10913764-B2 Macrolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-02-09 US disclosed
US-20200317691-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2020-10-08 US disclosed
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US disclosed
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 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-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB TLR8 4231/4885TLR7 4314/4885GABRA1 4116/4885
US-20200317691-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB TLR8 4231/4885TLR7 4314/4885GABRA1 4116/4885
US-10913764-B2 Macrolides and methods of their preparation and use CYP11B2, ERG28, DHCR7 TLR8 587/4885TLR7 316/4885GABRA1 2972/4885
US-20230043400-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB TLR8 4231/4885TLR7 4314/4885GABRA1 4116/4885
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB TLR8 4231/4885TLR7 4314/4885GABRA1 4116/4885
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB TLR8 4231/4885TLR7 4314/4885GABRA1 4116/4885

“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.