SCHEMBL22845232

SCHEMBL22845232

CCNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(C#N)c2)CC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 9/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PIK3CA P42336 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NAMPT P43490 1/20 0.31
XIAP P98170 1/20 0.31
GRM5 P41594 1/20 0.31
MAPK8 P45983 2/20 0.30
MAPK9 P45984 2/20 0.30
MAPK10 P53779 1/20 0.30
FASN P49327 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL22845502 0.94 GRM1 (0.34) GRM1HDAC1HDAC10HDAC8HDAC6
SCHEMBL22845444 0.92 MAPT (0.34) GRM1TP53MAPTHDAC1HDAC10
SCHEMBL22845445 0.91 MAPT (0.35) TP53MAPTPIK3CAHDAC1HDAC10
SCHEMBL22845478 0.90 LMNA (0.36) TP53
SCHEMBL22845334 0.90 GRM5 (0.32) GRM1GRM5
SCHEMBL22845442 0.87 GRM5 (0.34) GRM1GRM5
SCHEMBL22845517 0.87 CXCR4 (0.33) GRM1GRM5
SCHEMBL22845335 0.86 GRM5 (0.36) GRM1TP53MAPTHDAC6GRM5
SCHEMBL24469883 0.85 MGLL (0.36) MAPTHDAC1HDAC10HDAC8HDAC6
SCHEMBL22845350 0.85 HTR2B (0.32) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed
US-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 US disclosed
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 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 (4 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-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL GRM1 4264/4885TP53 1710/4885MAPT 651/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL GRM1 4264/4885TP53 1710/4885MAPT 651/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL GRM1 4264/4885TP53 1710/4885MAPT 651/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL GRM1 4264/4885TP53 1710/4885MAPT 651/4885

“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.