SCHEMBL23502017

SCHEMBL23502017

CC(C)c1ncccc1-c1ccc2c(c1)CNC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.50
CLK4 Q9HAZ1 3/20 0.49
GSK3B P49841 2/20 0.49
DAPK3 O43293 1/20 0.49
NTRK1 P04629 1/20 0.49
PIM1 P11309 1/20 0.49
FLT3 P36888 1/20 0.49
ROCK1 Q13464 1/20 0.49
BRAF P15056 1/20 0.47
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
TARS1 P26639 1/20 0.45
TBK1 Q9UHD2 1/20 0.44
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
GRM5 P41594 1/20 0.42
LRRK2 Q5S007 1/20 0.41
PRF1 P14222 4/20 0.41
DYRK1B Q9Y463 2/20 0.41

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
SCHEMBL15730875 0.83 CLK4 (0.58) PRKCICLK4GSK3BDAPK3NTRK1
SCHEMBL24680750 0.81 PRKCI (0.52) PRKCICLK4GSK3BDAPK3NTRK1
SCHEMBL18853930 0.80 PRKCI (0.49) PRKCICLK4GSK3BDAPK3NTRK1
SCHEMBL34460942 0.79 GRM2 (0.45) PRKCICLK4GSK3BDAPK3NTRK1
SCHEMBL15708952 0.78 GSK3B (0.41) PRKCICLK4GSK3BDAPK3NTRK1
SCHEMBL14484397 0.78 GSK3B (0.41) PRKCICLK4GSK3BDAPK3NTRK1
SCHEMBL15723973 0.76 UGCG (0.47) GRM5PRF1
SCHEMBL23501971 0.76 GRIA1 (0.60) TGFBR1ACVR1
SCHEMBL15980671 0.75 GSK3B (0.51) PRKCICLK4GSK3BDAPK3NTRK1
SCHEMBL16154663 0.75 CLK4 (0.54) PRKCICLK4GSK3BDAPK3NTRK1

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 2 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

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-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PRKCI 3386/4885CLK4 4388/4885GSK3B 1733/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PRKCI 3386/4885CLK4 4388/4885GSK3B 1733/4885

“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.