SCHEMBL15723748

SCHEMBL15723748

CCNCc1cn(C(C)C)nc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.37
GRIA2 P42262 1/20 0.37
NTRK1 P04629 2/20 0.37
LRRK2 Q5S007 3/20 0.36
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CYP1A2 P05177 1/20 0.31
EED O75530 1/20 0.31

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
SCHEMBL15723754 0.84 NTRK1 (0.40) GRM1NTRK1LRRK2ADORA3ADORA2A
SCHEMBL15724398 0.83 LRRK2 (0.36) NTRK1LRRK2CYP1A2
SCHEMBL15723735 0.82 NTRK1 (0.37) GRIA2NTRK1LRRK2ADORA3ADORA2A
SCHEMBL15730237 0.80 GRM1 (0.40) GRM1GRIA2CYP1A2
SCHEMBL13194751 0.79 LRRK2 (0.37) GRM1NTRK1LRRK2ADORA2AADORA1
SCHEMBL15723756 0.78 GRM1 (0.39) GRM1GRIA2NTRK1LRRK2EED
SCHEMBL20371641 0.78 GRM1 (0.45) GRM1GRIA2LRRK2CYP1A2
SCHEMBL23501964 0.78 LRRK2 (0.36) NTRK1LRRK2CYP1A2
SCHEMBL13598334 0.78 LRRK2 (0.39) NTRK1LRRK2ADORA3ADORA2AADORA1
SCHEMBL3905037 0.78 GRIA2 (0.38) GRIA2NTRK1LRRK2ADORA3ADORA2A

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 11 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-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 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-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-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 (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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN GRM1 4264/4885GRIA2 3899/4885NTRK1 4882/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN GRM1 4264/4885GRIA2 3899/4885NTRK1 4882/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN GRM1 4264/4885GRIA2 3899/4885NTRK1 4882/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN GRM1 4264/4885GRIA2 3899/4885NTRK1 4882/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN GRM1 4264/4885GRIA2 3899/4885NTRK1 4882/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN GRM1 4264/4885GRIA2 3899/4885NTRK1 4882/4885

“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.