SCHEMBL21571672

SCHEMBL21571672

Nc1nc(C(=O)Nc2c(Cl)cccc2N2CCNCC2)co1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 9/20 0.52
▸ CHEK1 O14757 8/20 0.46
▸ SMYD3 Q9H7B4 1/20 0.45
▸ ADRB1 P08588 2/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44

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
SCHEMBL20352035 0.77 PAICS (0.67) PAICS
SCHEMBL21571650 0.76 PAICS (0.45) PAICS
SCHEMBL21571669 0.76 SMYD3 (0.44) PAICSCHEK1SMYD3
SCHEMBL12455898 0.75 CHRNA7 (0.54) —
SCHEMBL21571618 0.74 PAICS (0.76) PAICS
SCHEMBL20352118 0.73 PAICS (0.54) PAICS
SCHEMBL20339057 0.72 PAICS (0.53) PAICS
SCHEMBL21571673 0.70 ALDH1A1 (0.36) PAICSSMYD3
SCHEMBL20352082 0.70 PAICS (0.51) PAICSCHEK1
Bicarbonate SCHEMBL11621260 0.70 ADRB1 (0.82) ADRB1DRD2DRD3

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

“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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