SCHEMBL20339064

SCHEMBL20339064

Nc1nc(C(=O)Nc2cc(N3CCN(S(=O)(=O)CCCCl)CC3)ccc2Br)co1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 14/20 0.39
▸ KCNH2 Q12809 1/20 0.36
▸ CYP17A1 P05093 1/20 0.35
▸ CYP21A2 P08686 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35

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
SCHEMBL20352042 0.91 PAICS (0.40) PAICSKCNH2CYP17A1CYP21A2CYP11B1
SCHEMBL21571641 0.91 PAICS (0.43) PAICSPTGDR
SCHEMBL20339077 0.90 PAICS (0.49) PAICS
SCHEMBL21571666 0.90 PAICS (0.41) PAICS
SCHEMBL20352066 0.90 PAICS (0.45) PAICS
SCHEMBL20340329 0.89 PAICS (0.45) PAICS
SCHEMBL21571640 0.89 PAICS (0.42) PAICS
SCHEMBL21571642 0.89 PAICS (0.45) PAICSPTGDR
SCHEMBL21571654 0.89 GHSR (0.38) PAICS
SCHEMBL20352137 0.88 PAICS (0.43) PAICSKCNH2

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 7 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
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 2442/4885CYP17A1 253/4885
US-10961233-B2 Oxazole derivatives for use in the treatment of cancer PAICS, CDK13, CDK12 PAICS 1/4885KCNH2 2703/4885CYP17A1 254/4885

“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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