SCHEMBL21571674

SCHEMBL21571674

CN1CC(CN2CCN(c3cccc(Br)c3NC(=O)c3coc(N)n3)CC2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 15/20 0.35
▸ FSHR P23945 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ TRPC5 Q9UL62 1/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.31
▸ SCN10A Q9Y5Y9 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
SCHEMBL21571662 0.85 PAICS (0.39) PAICSFSHR
SCHEMBL20352146 0.83 PAICS (0.40) PAICS
SCHEMBL20352053 0.73 PAICS (0.40) PAICS
SCHEMBL21571673 0.71 ALDH1A1 (0.36) PAICSSMYD3
SCHEMBL21571669 0.70 SMYD3 (0.44) PAICSSMYD3
SCHEMBL21571651 0.70 PAICS (0.38) PAICS
SCHEMBL20339079 0.68 PAICS (0.43) PAICS
SCHEMBL24220529 0.64 PAICS (0.49) PAICS
SCHEMBL21571672 0.64 PAICS (0.52) PAICSSMYD3
SCHEMBL20352031 0.63 PAICS (0.58) PAICS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961233-B2 Oxazole derivatives for use in the treatment of cancer LIFEARC (GB) 2021-03-30 — — US disclosed
US-20190352295-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2019-11-21 — — 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 (2 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-20190352295-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER PAICS, CDK12, CDK13 PAICS 1/4885FSHR 1128/4885RIPK1 3983/4885
US-10961233-B2 Oxazole derivatives for use in the treatment of cancer PAICS, CDK13, CDK12 PAICS 1/4885FSHR 1021/4885RIPK1 4133/4885

“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.

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