SCHEMBL22845506

SCHEMBL22845506

CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(Nc5ccc(F)cc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
BPTF Q12830 1/20 0.33
MAPK14 Q16539 4/20 0.32
KDR P35968 1/20 0.32
LRRK2 Q5S007 1/20 0.32
PTK2 Q05397 1/20 0.32
ALDH1A1 P00352 1/20 0.31
JAK2 O60674 1/20 0.31
SRC P12931 1/20 0.31
PRKAA2 P54646 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
NPY2R P49146 1/20 0.31

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
SCHEMBL22845323 0.93 MTHFD2 (0.34) BRD4CREBBPMAPK14KDRLRRK2
SCHEMBL22845201 0.91 S1PR2 (0.33) S1PR2SMN1; SMN2BRD4CREBBPMAPK14
SCHEMBL22845527 0.90 PREP (0.37) SMN1; SMN2MAPTBRD4MAPK14
SCHEMBL22845309 0.88 MAPK14 (0.34) S1PR2SMN1; SMN2MAPTMAPK14ALDH1A1
SCHEMBL22845519 0.86 MTHFD2 (0.35) SMN1; SMN2MAPTBRD4CREBBPMAPK14
SCHEMBL22845373 0.85 TP53 (0.35) MAPTMAPK14KDRPTK2ALDH1A1
SCHEMBL22845388 0.84 PREP (0.35) SMN1; SMN2BRD4MAPK14
SCHEMBL22845412 0.84 MAPT (0.41) SMN1; SMN2MAPTKDRALDH1A1MEN1
SCHEMBL22830553 0.84 NTRK1 (0.35) SMN1; SMN2MAPK14ALDH1A1
SCHEMBL22845340 0.84 PRLHR (0.35) MAPTALDH1A1

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 S1PR2 2103/4885SMN1; SMN2 1114/4885MAPT 651/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL S1PR2 2103/4885SMN1; SMN2 1114/4885MAPT 651/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL S1PR2 2103/4885SMN1; SMN2 1114/4885MAPT 651/4885

“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.