SCHEMBL10285406

SCHEMBL10285406

CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(-c3nc(NCC4CCOCC4)cnc3Cl)c(Cl)cn2)C1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 10/20 0.52
CCNT1 O60563 11/20 0.48
CCNK O75909 1/20 0.42

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
SCHEMBL10285646 0.95 CDK9 (0.51) CDK9CCNT1CCNK
SCHEMBL1945774 0.93 CCNT1 (0.56) CDK9CCNT1
SCHEMBL1463048 0.93 CCNT1 (0.56) CDK9CCNT1
SCHEMBL1439893 0.90 CCNT1 (0.62) CDK9CCNT1CCNK
SCHEMBL1439961 0.90 CCNT1 (0.62) CDK9CCNT1CCNK
SCHEMBL1462654 0.88 CCNT1 (0.56) CDK9CCNT1
SCHEMBL10285512 0.88 CCNT1 (0.55) CDK9CCNT1CCNK
SCHEMBL1945725 0.87 CCNT1 (0.56) CDK9CCNT1
SCHEMBL10285955 0.87 CCNT1 (0.48) CDK9CCNT1CCNK
SCHEMBL10241790 0.86 CDK9 (0.54) 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 2 patents. 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
WO-2011026904-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 WO 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 39/4885CCNK 23/4885

“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.