SCHEMBL22845350

SCHEMBL22845350

N#Cc1cc(C(=O)N2CCc3c(n4ncc(Cc5ccccc5)c4n(-c4ccc(-c5ncc[nH]5)cc4)c3=O)C2)ccc1Br

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.32
GRM5 P41594 1/20 0.31
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
PARP6 Q2NL67 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
PARP3 Q9Y6F1 1/20 0.31
MTHFD2 P13995 1/20 0.30
MGLL Q99685 2/20 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
SCHEMBL22845533 0.91 MTHFD2 (0.35) HTR2BMTHFD2MGLL
SCHEMBL22845334 0.88 GRM5 (0.32) GRM5MGLL
SCHEMBL22845517 0.86 CXCR4 (0.33) GRM5
SCHEMBL22845502 0.86 GRM1 (0.34) GRM5PARP1
SCHEMBL22845232 0.85 GRM1 (0.34) GRM5
SCHEMBL22845444 0.84 MAPT (0.34) GRM5
SCHEMBL22845478 0.84 LMNA (0.36)
SCHEMBL24483796 0.81 MTHFD2 (0.36) MTHFD2MGLL
SCHEMBL22845442 0.80 GRM5 (0.34) GRM5
SCHEMBL24173421 0.80 ALDH1A1 (0.36) PARP1MTHFD2

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 HTR2B 2013/4885GRM5 3636/4885TNKS 1901/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL HTR2B 2013/4885GRM5 3636/4885TNKS 1901/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL HTR2B 2013/4885GRM5 3636/4885TNKS 1901/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL HTR2B 2013/4885GRM5 3636/4885TNKS 1901/4885

“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.