SCHEMBL15723754

SCHEMBL15723754

CNCc1cn(C(C)C)nc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.40
LRRK2 Q5S007 2/20 0.38
GRM1 Q13255 4/20 0.35
CYP1A2 P05177 1/20 0.34
EED O75530 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
ACHE P22303 1/20 0.30
PARP1 P09874 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL15723748 0.84 GRM1 (0.37) NTRK1LRRK2GRM1CYP1A2EED
SCHEMBL15723735 0.81 NTRK1 (0.37) NTRK1LRRK2CYP1A2IRAK4ACHE
SCHEMBL13194751 0.81 LRRK2 (0.37) NTRK1LRRK2GRM1CYP1A2ACHE
SCHEMBL15723756 0.81 GRM1 (0.39) NTRK1LRRK2GRM1EEDIRAK4
SCHEMBL23501964 0.80 LRRK2 (0.36) NTRK1LRRK2CYP1A2ACHE
SCHEMBL3905037 0.80 GRIA2 (0.38) NTRK1LRRK2CYP1A2IRAK4ACHE
SCHEMBL13598334 0.80 LRRK2 (0.39) NTRK1LRRK2CYP1A2ACHEADORA3
SCHEMBL12985053 0.79 LRRK2 (0.34) NTRK1LRRK2
SCHEMBL15724398 0.79 LRRK2 (0.36) NTRK1LRRK2CYP1A2ACHE
SCHEMBL14555389 0.78 LMNA (0.40) LRRK2GRM1CYP1A2SLC6A2SLC6A4

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 7 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-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 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 (5 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-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN NTRK1 4882/4885LRRK2 1138/4885GRM1 4264/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN NTRK1 4882/4885LRRK2 1138/4885GRM1 4264/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NTRK1 4882/4885LRRK2 1138/4885GRM1 4264/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NTRK1 4882/4885LRRK2 1138/4885GRM1 4264/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NTRK1 4882/4885LRRK2 1138/4885GRM1 4264/4885

“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.