SCHEMBL24308497

SCHEMBL24308497

CSN1CCN(C(=O)C(C)O)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
ROCK2 O75116 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM1 P11229 1/20 0.31
HPGD P15428 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 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
SCHEMBL13324885 0.84 MEN1 (0.41) HSD17B10MEN1ALDH1A1KMT2AROCK2
SCHEMBL20329137 0.76 PIK3CD (0.40) HSD17B10MEN1ALDH1A1KMT2AROCK2
SCHEMBL7904346 0.76 CYP1A2 (0.52) HSD17B10ALDH1A1CHRM1HPGD
SCHEMBL17708306 0.76 CYP1A2 (0.52) HSD17B10ALDH1A1CHRM1HPGD
SCHEMBL17708305 0.76 CYP1A2 (0.52) HSD17B10ALDH1A1CHRM1HPGD
SCHEMBL1417346 0.75 MMP1 (0.44) MEN1ALDH1A1KMT2AHPGD
SCHEMBL3288873 0.75 MMP1 (0.44) MEN1ALDH1A1KMT2AHPGD
SCHEMBL3298525 0.75 MMP1 (0.44) MEN1ALDH1A1KMT2AHPGD
SCHEMBL20970532 0.74 MEN1 (0.35) HSD17B10MEN1ALDH1A1KMT2AROCK2
SCHEMBL22025301 0.74 MEN1 (0.35) HSD17B10MEN1ALDH1A1KMT2AROCK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 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 (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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 HSD17B10 3956/4885MEN1 1084/4885ALDH1A1 3241/4885

“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.