SCHEMBL24191817

SCHEMBL24191817

C[C@H](C(=O)O)c1ccc2c(n1)CC(=O)N2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
BIRC2 Q13490 3/20 0.35
XIAP P98170 2/20 0.35
ADAMTS5 Q9UNA0 1/20 0.33
SMYD3 Q9H7B4 3/20 0.32
CRBN Q96SW2 4/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
AHR P35869 2/20 0.31
PDK2 Q15119 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BMPR1B O00238 1/20 0.30
BMPR1A P36894 1/20 0.30
TGFBR1 P36897 1/20 0.30
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 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
SCHEMBL21964248 0.83 AHR (0.35) BIRC2XIAPCRBNPDE3BPDE3A
SCHEMBL24191809 0.80 GRIA1 (0.34) BIRC2XIAPSMYD3PDE3BPDE3A
SCHEMBL15806897 0.71 CYP2C19 (0.42) PDE3BPDE3AAHRPDK2
SCHEMBL24192469 0.71 AHR (0.38) PDE3BPDE3AAHRPDK2ALDH1A1
SCHEMBL8652640 0.70 PDE3B (0.35) POLBPDE3BPDE3AAHRPDK2
SCHEMBL24191804 0.70 SMYD3 (0.43) SMYD3CRBNPDE3BPDE3AAHR
SCHEMBL18237934 0.69 CRBN (0.42) POLBCRBNPDE3BPDE3AALDH1A1
SCHEMBL25970121 0.69 AHR (0.49) SMYD3PDE3BPDE3AAHRPDK2
SCHEMBL24192092 0.69 AHR (0.49) SMYD3PDE3BPDE3AAHRPDK2
SCHEMBL7037819 0.69 AHR (0.49) SMYD3PDE3BPDE3AAHRPDK2

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-20230257396-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-20230257396-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2023-08-17 US disclosed
WO-2022011123-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2022-01-13 WO 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 (1 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-20230257396-A1 MACROCYCLES AND THEIR USE VHL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DLD POLB 931/4885BIRC2 365/4885XIAP 226/4885

“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.