SCHEMBL22845533

SCHEMBL22845533

O=C(c1ccc(Br)c(Cl)c1)N1CCc2c(n3ncc(Cc4ccccc4)c3n(-c3ccc(-c4ncc[nH]4)cc3)c2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 3/20 0.35
MGLL Q99685 1/20 0.33
HTR2B P41595 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK14 Q16539 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KCNK3 O14649 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL22845350 0.91 HTR2B (0.32) MTHFD2MGLLHTR2B
SCHEMBL24483796 0.89 MTHFD2 (0.36) MTHFD2MGLLKCNK3ALDH1A1
SCHEMBL24173421 0.89 ALDH1A1 (0.36) MTHFD2KCNK3ALDH1A1
SCHEMBL24469882 0.88 MTHFD2 (0.36) MTHFD2MGLLKCNK3ALDH1A1
SCHEMBL26842658 0.87 MAPT (0.35) MTHFD2ALDH1A1
SCHEMBL22845425 0.87 MTHFD2 (0.33) MTHFD2ALDH1A1
SCHEMBL22845236 0.87 MAPK14 (0.32) MTHFD2MAPK14KCNK3
SCHEMBL22845526 0.87 MTHFD2 (0.33) MTHFD2MGLLKCNK3ALDH1A1
SCHEMBL22845339 0.86 P2RX7 (0.35) MTHFD2KCNK3ALDH1A1
SCHEMBL24483838 0.86 HDAC1 (0.35) MTHFD2ALDH1A1

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 6 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
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 MTHFD2 2383/4885MGLL 1416/4885HTR2B 2013/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL MTHFD2 2383/4885MGLL 1416/4885HTR2B 2013/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL MTHFD2 2383/4885MGLL 1416/4885HTR2B 2013/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL MTHFD2 2383/4885MGLL 1416/4885HTR2B 2013/4885

“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.