SCHEMBL21571660

SCHEMBL21571660

Nc1nc(C(=O)Nc2cc(N3CCN(S(=O)(=O)C4CCNC4)CC3)ccc2Br)co1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 16/20 0.45
▸ SMYD3 Q9H7B4 2/20 0.40
▸ KCNH2 Q12809 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36

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
SCHEMBL20339062 0.95 PAICS (0.45) PAICSSMYD3KCNH2HDAC3HDAC1
SCHEMBL20340330 0.87 PAICS (0.45) PAICSSMYD3KCNH2HDAC3HDAC2
SCHEMBL21571648 0.86 PAICS (0.42) PAICSKCNH2HDAC3HDAC2
SCHEMBL20339051 0.86 PAICS (0.55) PAICS
SCHEMBL20339057 0.83 PAICS (0.53) PAICSKCNH2HDAC3HDAC1HDAC2
SCHEMBL24220558 0.83 SMYD3 (0.33) SMYD3
SCHEMBL20352014 0.81 PAICS (0.39) PAICSSMYD3KCNH2HDAC3HDAC2
SCHEMBL21571649 0.81 PAICS (0.35) PAICSKCNH2
SCHEMBL24220529 0.80 PAICS (0.49) PAICSKCNH2HDAC3HDAC2
SCHEMBL20339036 0.80 PAICS (0.42) PAICSKCNH2HDAC3HDAC2

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 6 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

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 1/4885SMYD3 3357/4885KCNH2 2442/4885
US-10961233-B2 Oxazole derivatives for use in the treatment of cancer PAICS, CDK13, CDK12 PAICS 1/4885SMYD3 3327/4885KCNH2 2703/4885

“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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