SCHEMBL22845201

SCHEMBL22845201

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.33
TNF P01375 2/20 0.32
PRKAA2 P54646 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
USP7 Q93009 1/20 0.32
TYK2 P29597 1/20 0.31
GRM1 Q13255 2/20 0.31
MAPK14 Q16539 4/20 0.31
KDR P35968 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL22845506 0.91 S1PR2 (0.34) S1PR2PRKAA2BRD4CREBBPMAPK14
SCHEMBL22845431 0.90 GRM5 (0.38) PRKAA2GRM1SMN1; SMN2
SCHEMBL22845442 0.88 GRM5 (0.34) S1PR2PRKAA2GRM1MAPK14ALDH1A1
SCHEMBL22845278 0.86 GRM5 (0.32) USP7GRM1MAPK14
SCHEMBL24173941 0.85 GRM1 (0.39) USP7GRM1SMN1; SMN2
SCHEMBL22845357 0.84 PRLHR (0.35) ALDH1A1
SCHEMBL22845323 0.84 MTHFD2 (0.34) BRD4CREBBPMAPK14KDRALDH1A1
SCHEMBL22845502 0.82 GRM1 (0.34) USP7GRM1
SCHEMBL22845531 0.82 MAPK14 (0.35) MAPK14
SCHEMBL22845344 0.81 USP7 (0.32) USP7GRM1

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 2103/4885TNF 3737/4885PRKAA2 2338/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL S1PR2 2103/4885TNF 3737/4885PRKAA2 2338/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL S1PR2 2103/4885TNF 3737/4885PRKAA2 2338/4885

“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.