SCHEMBL22845236

SCHEMBL22845236

Cn1ccnc1-c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.32
MTHFD2 P13995 2/20 0.32
P2RX7 Q99572 1/20 0.31
KCNH2 Q12809 1/20 0.31
KCNK3 O14649 1/20 0.31
PDE2A O00408 1/20 0.30
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
PDK1 Q15118 1/20 0.30
EEF2K O00418 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
SCHEMBL26841980 0.91 NR1H2 (0.33) MTHFD2P2RX7KCNK3
SCHEMBL24470053 0.90 MTHFD2 (0.32) MAPK14MTHFD2P2RX7KCNH2KCNK3
SCHEMBL24483823 0.90 MTHFD2 (0.32) MAPK14MTHFD2P2RX7KCNH2KCNK3
SCHEMBL24469881 0.89 MTHFD2 (0.33) MAPK14MTHFD2P2RX7KCNH2KCNK3
SCHEMBL24173421 0.89 ALDH1A1 (0.36) MTHFD2P2RX7KCNK3
SCHEMBL26842658 0.88 MAPT (0.35) MTHFD2P2RX7
SCHEMBL26841938 0.88 DGAT1 (0.33) MAPK14MTHFD2P2RX7KCNH2KCNK3
SCHEMBL26842714 0.88 PDE2A (0.34) MTHFD2P2RX7KCNH2PDE2AEEF2K
SCHEMBL22845526 0.87 MTHFD2 (0.33) MTHFD2P2RX7KCNH2KCNK3PDE2A
SCHEMBL24483796 0.87 MTHFD2 (0.36) MTHFD2P2RX7KCNK3PDE2A

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 MAPK14 1682/4885MTHFD2 2383/4885P2RX7 2406/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL MAPK14 1682/4885MTHFD2 2383/4885P2RX7 2406/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL MAPK14 1682/4885MTHFD2 2383/4885P2RX7 2406/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL MAPK14 1682/4885MTHFD2 2383/4885P2RX7 2406/4885

“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.