SCHEMBL10285397

SCHEMBL10285397

C[C@@H](Nc1cncc(-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)n1)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 19/20 0.59
CCNT1 O60563 2/20 0.59
GSK3B P49841 1/20 0.49
DYRK1A Q13627 1/20 0.49

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
SCHEMBL10285384 1.00 CDK9 (0.59) CDK9CCNT1GSK3BDYRK1A
SCHEMBL1947145 0.90 CDK9 (0.59) CDK9CCNT1
SCHEMBL1946411 0.90 CDK9 (0.59) CDK9CCNT1
SCHEMBL23683115 0.86 CDK9 (0.58) CDK9CCNT1
SCHEMBL10285410 0.85 CDK9 (0.56) CDK9CCNT1
SCHEMBL12819814 0.84 CDK9 (0.55) CDK9CCNT1
SCHEMBL10285304 0.84 CDK9 (0.55) CDK9CCNT1
SCHEMBL10285928 0.84 CDK9 (0.59) CDK9CCNT1
SCHEMBL10285309 0.83 CDK9 (0.55) CDK9CCNT1
SCHEMBL1949101 0.83 CDK9 (0.60) CDK9CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 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 (1 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-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI CDK9 16/4885CCNT1 39/4885GSK3B 1536/4885

“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.