SCHEMBL22845264

SCHEMBL22845264

CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(N[C@@H](C)c5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRLHR P49683 16/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
MTHFD2 P13995 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL22845340 1.00 PRLHR (0.35) PRLHRCYP1A2CYP2D6CYP2C9ITGB2
SCHEMBL22845357 0.91 PRLHR (0.35) PRLHRCYP1A2CYP2D6CYP2C9ALDH1A1
SCHEMBL24173491 0.90 ITGB2 (0.33) PRLHRCYP1A2CYP2D6CYP2C9ITGB2
SCHEMBL22845323 0.89 MTHFD2 (0.34) MTHFD2ALDH1A1
SCHEMBL22845388 0.87 PREP (0.35) PRLHRITGB2ICAM1ITGALMTHFD2
SCHEMBL24483838 0.85 HDAC1 (0.35) ITGB2ICAM1ITGALMTHFD2ALDH1A1
SCHEMBL22830564 0.85 TP53 (0.32) PRLHRITGB2ICAM1ITGALMAPT
SCHEMBL22845373 0.84 TP53 (0.35) MTHFD2ALDH1A1MAPT
SCHEMBL22845506 0.84 S1PR2 (0.34) ALDH1A1MAPT
SCHEMBL22845519 0.82 MTHFD2 (0.35) CYP1A2CYP2C9MTHFD2ALDH1A1MAPT

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 PRLHR 2579/4885CYP1A2 86/4885CYP2D6 81/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL PRLHR 2579/4885CYP1A2 86/4885CYP2D6 81/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL PRLHR 2579/4885CYP1A2 86/4885CYP2D6 81/4885

“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.