SCHEMBL9949525

SCHEMBL9949525

CC(C)C(=O)Nc1cc(-c2cncc(NCC3CCOCC3)n2)c(C(F)(F)F)cn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 10/20 0.52
GSK3B P49841 1/20 0.46
DYRK1A Q13627 1/20 0.46
CDK9 P50750 3/20 0.42
CCNK O75909 2/20 0.42
CNR2 P34972 3/20 0.41
FLT3 P36888 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
PTGES O14684 1/20 0.39

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
SCHEMBL1439570 0.88 CCNT1 (0.54) CCNT1GSK3BDYRK1ACDK9CCNK
SCHEMBL1439508 0.87 CCNT1 (0.55) CCNT1GSK3BDYRK1ACDK9CCNK
SCHEMBL1439734 0.86 CCNT1 (0.69) CCNT1GSK3BDYRK1ACDK9CCNK
SCHEMBL10285635 0.82 CCNT1 (0.48) CCNT1GSK3BDYRK1ACDK9CCNK
SCHEMBL9949793 0.82 FLT3 (0.54) CCNT1CDK9CCNKCNR2FLT3
SCHEMBL10285395 0.81 CDK9 (0.60) CCNT1DYRK1ACDK9
SCHEMBL10285388 0.81 CCNT1 (0.46) CCNT1GSK3BDYRK1ACDK9
SCHEMBL1439939 0.80 CCNT1 (0.52) CCNT1CDK9CCNKFLT3PRKCQ
SCHEMBL10285737 0.79 CCNT1 (0.48) CCNT1DYRK1ACDK9
SCHEMBL10285396 0.79 CCNT1 (0.48) CCNT1DYRK1ACDK9CCNK

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 3 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
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 CCNT1 39/4885GSK3B 1536/4885DYRK1A 1864/4885

“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.