SCHEMBL22845317

SCHEMBL22845317

NC(=O)c1ccc(-n2c(=O)c3c(n4ncc(NCc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.36
MAPK14 Q16539 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
JAK3 P52333 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
GRM1 Q13255 5/20 0.33
MTHFD2 P13995 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRLHR P49683 2/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
AR P10275 1/20 0.33
TP53BP1 Q12888 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL22845341 0.94 PREP (0.37) PREPCA12CA1CA2CA9
SCHEMBL22845388 0.92 PREP (0.35) PREPMAPK14CA12CA1CA2
SCHEMBL22845425 0.89 MTHFD2 (0.33) MTHFD2SMN1; SMN2
SCHEMBL22845368 0.88 PREP (0.40) PREPGRM1MTHFD2SMN1; SMN2BRD4
SCHEMBL22845438 0.88 GNRHR (0.39) GRM1SMN1; SMN2PRLHR
SCHEMBL22845379 0.85 PREP (0.36) PREPGRM1MTHFD2SMN1; SMN2PRLHR
SCHEMBL22845527 0.85 PREP (0.37) PREPMAPK14GRM1RAB9ASMN1; SMN2
SCHEMBL22845325 0.84 MAPT (0.41) SMN1; SMN2PRLHR
SCHEMBL22845525 0.84 PRLHR (0.34) PRLHR
SCHEMBL24173421 0.83 ALDH1A1 (0.36) MTHFD2SMN1; SMN2

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-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 (3 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 PREP 966/4885MAPK14 1682/4885CA12 684/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL PREP 966/4885MAPK14 1682/4885CA12 684/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL PREP 966/4885MAPK14 1682/4885CA12 684/4885

“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.