SCHEMBL21712418

SCHEMBL21712418

CNc1c(N)cnc2cccc(OCCC(C)(C)O)c12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.36
NCF1 P14598 9/20 0.35
GRK3 P35626 1/20 0.33
IDO1 P14902 1/20 0.32
MAPT P10636 1/20 0.32
GSK3B P49841 1/20 0.32
CYBB P04839 2/20 0.32
PIM1 P11309 1/20 0.31
RAF1 P04049 1/20 0.31
MAP2K1 Q02750 1/20 0.31
SRC P12931 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
SCHEMBL21712417 0.85 MCHR1 (0.39) MCHR1NCF1GRK3IDO1MAPT
SCHEMBL31050889 0.85 MCHR1 (0.39) MCHR1NCF1GRK3IDO1MAPT
SCHEMBL21712388 0.82 NPC1 (0.37) MAPT
SCHEMBL31050887 0.82 NPC1 (0.37) MAPT
SCHEMBL21730970 0.78 RAF1 (0.46) RAF1MAP2K1SRC
SCHEMBL21712422 0.75 KCNA5 (0.44) MAPTRAF1MAP2K1SRC
SCHEMBL31050885 0.74 NPC1 (0.39) MCHR1NCF1MAPT
SCHEMBL21712407 0.74 NPC1 (0.39) MCHR1NCF1MAPT
SCHEMBL25958354 0.68 LMNA (0.35) GRK3IDO1MAPTGSK3BPIM1
SCHEMBL21712372 0.67 PDE10A (0.33) MCHR1GRK3IDO1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515666-A 2-Amino-quinoline derivatives 博笛生物科技有限公司 2024-08-20 CN disclosed
US-11834448-B2 2-amino-quinoline derivatives BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2023-12-05 US disclosed
US-11834448-B2 2-amino-quinoline derivatives BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2023-12-05 US disclosed
US-11834448-B2 2-amino-quinoline derivatives BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2023-12-05 US disclosed
EP-3615539-B1 2-AMINO-QUINOLINE DERIVATIVES BIRDIE BIOPHARMACEUTICALS INC (KY) 2023-08-09 EP disclosed
US-11053240-B2 2-amino-quinoline derivatives BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2021-07-06 US disclosed
US-11053240-B2 2-amino-quinoline derivatives BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2021-07-06 US disclosed
US-20200055851-A1 2-AMINO-QUINOLINE DERIVATIVES BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2020-02-20 US disclosed
US-20200055851-A1 2-AMINO-QUINOLINE DERIVATIVES BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2020-02-20 US disclosed
CN-110637018-A 2-amino-quinoline derivatives 博笛生物科技有限公司 2019-12-31 CN 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-11053240-B2 2-amino-quinoline derivatives TLR7, TLR8, TLR1 MCHR1 1615/4885NCF1 2102/4885GRK3 379/4885
US-20200055851-A1 2-AMINO-QUINOLINE DERIVATIVES TLR7, TLR8, TLR1 MCHR1 1615/4885NCF1 2102/4885GRK3 379/4885
US-11834448-B2 2-amino-quinoline derivatives TLR7, TLR8, TLR1 MCHR1 1615/4885NCF1 2102/4885GRK3 379/4885

“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.