SCHEMBL10285388

SCHEMBL10285388

CC(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(C(F)(F)F)cn2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 9/20 0.46
CDK9 P50750 2/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DYRK1A Q13627 6/20 0.37
GSK3B P49841 5/20 0.37
CLK2 P49760 2/20 0.37
CLK3 P49761 2/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 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
SCHEMBL10285737 0.92 CCNT1 (0.48) CCNT1CDK9LMNASMN1; SMN2DYRK1A
SCHEMBL10285396 0.92 CCNT1 (0.48) CCNT1CDK9LMNASMN1; SMN2DYRK1A
SCHEMBL1439813 0.90 CCNT1 (0.60) CCNT1CDK9
SCHEMBL1439529 0.90 CCNT1 (0.60) CCNT1CDK9
SCHEMBL12814371 0.85 CCNT1 (0.48) CCNT1CDK9DYRK1AGSK3BCLK2
SCHEMBL1439570 0.84 CCNT1 (0.54) CCNT1CDK9DYRK1AGSK3BCLK2
SCHEMBL10285625 0.81 CCNT1 (0.62) CCNT1CDK9
SCHEMBL1439961 0.81 CCNT1 (0.62) CCNT1CDK9
SCHEMBL1439593 0.81 CCNT1 (0.62) CCNT1CDK9
SCHEMBL1439347 0.81 CCNT1 (0.62) CCNT1CDK9

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 CCNT1 39/4885CDK9 16/4885LMNA 2376/4885

“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.