SCHEMBL21571669

SCHEMBL21571669

Nc1nc(C(=O)Nc2c(Br)cccc2N2CCN(S(=O)(=O)C3CCNCC3)CC2)co1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.44
▸ PAICS P22234 12/20 0.40
▸ CHEK1 O14757 5/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL21571673 0.82 ALDH1A1 (0.36) SMYD3PAICSALDH1A1CYP1A2CYP3A4
SCHEMBL20339062 0.82 PAICS (0.45) SMYD3PAICS
SCHEMBL20339051 0.78 PAICS (0.55) PAICS
SCHEMBL21571651 0.77 PAICS (0.38) PAICSALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21571660 0.77 PAICS (0.45) SMYD3PAICS
SCHEMBL24220469 0.76 SMYD3 (0.41) SMYD3PAICS
SCHEMBL21571672 0.76 PAICS (0.52) SMYD3PAICSCHEK1
SCHEMBL20352176 0.75 SMYD3 (0.41) SMYD3PAICS
SCHEMBL20340330 0.72 PAICS (0.45) SMYD3PAICSCYP1A2CYP2C19
SCHEMBL21571674 0.70 PAICS (0.35) SMYD3PAICS

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 SMYD3 3357/4885PAICS 1/4885CHEK1 1179/4885
US-10961233-B2 Oxazole derivatives for use in the treatment of cancer PAICS, CDK13, CDK12 SMYD3 3327/4885PAICS 1/4885CHEK1 1242/4885

“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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