SCHEMBL15723907

SCHEMBL15723907

CC(C)c1ncccc1-c1ccc2cnn(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
SYK P43405 2/20 0.43
CCNC P24863 3/20 0.42
CDK8 P49336 3/20 0.42
CYP1A2 P05177 1/20 0.42
GRM4 Q14833 1/20 0.42
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
USP1 O94782 1/20 0.41
MET P08581 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
PRMT5 O14744 1/20 0.38
SLC2A1 P11166 1/20 0.38
SCD5 Q86SK9 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL15730157 0.83 METAP2 (0.46) TRPA1SYKCCNCCDK8CYP1A2
SCHEMBL16458451 0.82 TRPA1 (0.44) TRPA1SYKCCNCCDK8CYP1A2
SCHEMBL18853878 0.81 SYK (0.45) TRPA1SYKCCNCCDK8CYP1A2
SCHEMBL15724366 0.80 PFKFB3 (0.46) GRM4
SCHEMBL15723965 0.76 GSTP1 (0.47) TRPA1CYP1A2FFAR4
SCHEMBL15639110 0.76 KHK (0.42) TRPA1SYKCCNCCDK8CYP1A2
SCHEMBL15639567 0.76 KMO (0.44) TRPA1SYKCCNCCDK8CYP1A2
SCHEMBL15638517 0.75 ERCC1 (0.42) TRPA1SYKCCNCCDK8CYP1A2
SCHEMBL15723922 0.74 PIK3CD (0.50) CCNCCDK8CYP1A2
SCHEMBL16460156 0.74 GRIN2B (0.44) TRPA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (3 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-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN TRPA1 4442/4885SYK 3453/4885CCNC 2814/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TRPA1 4442/4885SYK 3453/4885CCNC 2814/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TRPA1 4442/4885SYK 3453/4885CCNC 2814/4885

“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.