SCHEMBL24469859

SCHEMBL24469859

Cn1cncc1-c1ccc(-n2c(=O)c3c(n4ncc(Cc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
P2RX7 Q99572 6/20 0.33
RORC P51449 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
MTHFD2 P13995 1/20 0.32
KCNK3 O14649 1/20 0.30
RBP4 P02753 1/20 0.30
TP53 P04637 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
SCHEMBL26841989 0.92 NR1H2 (0.33) NR1H2NR1H3P2RX7MTHFD2KCNK3
SCHEMBL24484701 0.92 PARP1 (0.33) NR1H2NR1H3
SCHEMBL24469803 0.89 NR1H2 (0.32) NR1H2NR1H3P2RX7MTHFD2KCNK3
SCHEMBL26841980 0.88 NR1H2 (0.33) NR1H2NR1H3P2RX7RORCMTHFD2
SCHEMBL24483821 0.88 SCD (0.34) NR1H2NR1H3P2RX7TP53
SCHEMBL24469898 0.88 P2RX7 (0.33) NR1H2NR1H3P2RX7MTHFD2KCNK3
SCHEMBL24483968 0.86 NR1H2 (0.32) NR1H2NR1H3P2RX7KCNK3
SCHEMBL24483898 0.85 P2RX7 (0.31) P2RX7
SCHEMBL26841996 0.85 P2RX7 (0.33) NR1H2NR1H3P2RX7TP53
SCHEMBL26841995 0.85 NR1H2 (0.33) NR1H2NR1H3P2RX7

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 3 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-20220169650-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-06-02 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 (2 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-20220169650-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL NR1H2 477/4885NR1H3 509/4885P2RX7 2406/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL NR1H2 477/4885NR1H3 509/4885P2RX7 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.