SCHEMBL20340330

SCHEMBL20340330

CN1CCC(S(=O)(=O)N2CCN(c3ccc(Br)c(NC(=O)c4coc(N)n4)c3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 9/20 0.45
▸ KCNH2 Q12809 2/20 0.41
▸ HDAC3 O15379 4/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ ATR Q13535 2/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C18 P33260 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.38

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
SCHEMBL21571648 0.95 PAICS (0.42) PAICSKCNH2HDAC3HDAC2ATR
SCHEMBL20352164 0.91 PAICS (0.54) PAICS
SCHEMBL20339062 0.91 PAICS (0.45) PAICSKCNH2HDAC3HDAC2SMYD3
SCHEMBL24220529 0.89 PAICS (0.49) PAICSKCNH2HDAC3HDAC2CYP1A2
SCHEMBL21571660 0.87 PAICS (0.45) PAICSKCNH2HDAC3HDAC2SMYD3
SCHEMBL21571649 0.86 PAICS (0.35) PAICSKCNH2
SCHEMBL21571665 0.86 PAICS (0.49) PAICSKCNH2HDAC3HDAC2CYP1A2
SCHEMBL20352014 0.83 PAICS (0.39) PAICSKCNH2HDAC3HDAC2SMYD3
SCHEMBL21571640 0.82 PAICS (0.42) PAICS
SCHEMBL20352073 0.82 PAICS (0.41) PAICSKCNH2HDAC3HDAC2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562824-B1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2022-01-26 — — EP disclosed
EP-3562824-B1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2022-01-26 — — EP disclosed
US-10961233-B2 Oxazole derivatives for use in the treatment of cancer LIFEARC (GB) 2021-03-30 — — US disclosed
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
US-20190352295-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2019-11-21 — — US disclosed
EP-3562824-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LifeArc (GB) 2019-11-06 — — EP disclosed
WO-2018122549-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2018-07-05 — — 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 (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 1/4885KCNH2 2442/4885HDAC3 558/4885
US-10961233-B2 Oxazole derivatives for use in the treatment of cancer PAICS, CDK13, CDK12 PAICS 1/4885KCNH2 2703/4885HDAC3 631/4885

“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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