SCHEMBL10285656

SCHEMBL10285656

CC(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(-c3nc(NC[C@@H]4CCOC(C)(C)C4)cnc3Cl)c(Cl)cn2)C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 13/20 0.42
CCNT1 O60563 13/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 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
SCHEMBL10285781 1.00 CDK9 (0.42) CDK9CCNT1SMN1; SMN2LMNA
SCHEMBL1462530 0.93 CCNT1 (0.47) CDK9CCNT1SMN1; SMN2LMNA
SCHEMBL1464297 0.93 CCNT1 (0.47) CDK9CCNT1SMN1; SMN2LMNA
SCHEMBL1945132 0.93 CCNT1 (0.47) CDK9CCNT1SMN1; SMN2LMNA
SCHEMBL1948331 0.93 CCNT1 (0.47) CDK9CCNT1SMN1; SMN2LMNA
SCHEMBL10242077 0.87 CDK9 (0.44) CDK9CCNT1SMN1; SMN2
SCHEMBL10242098 0.87 CDK9 (0.44) CDK9CCNT1SMN1; SMN2
SCHEMBL10285428 0.86 CCNT1 (0.41) CDK9CCNT1
SCHEMBL10285657 0.86 CCNT1 (0.41) CDK9CCNT1
SCHEMBL1946243 0.84 CCNT1 (0.54) CDK9CCNT1SMN1; SMN2

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 39/4885SMN1; SMN2 2827/4885

“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.