SCHEMBL10285395

SCHEMBL10285395

O=C(Nc1cc(-c2cncc(NCC3CCOCC3)n2)c(C(F)(F)F)cn1)[C@@H]1CCCNC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 11/20 0.60
CCNT1 O60563 9/20 0.60
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
DYRK1A Q13627 1/20 0.44

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 0.90 CCNT1 (0.54) CDK9CCNT1CLK2CLK3DYRK1A
SCHEMBL10285965 0.90 CDK9 (0.69) CDK9CCNT1CLK2CLK3DYRK1A
SCHEMBL1439483 0.88 CCNT1 (0.74) CDK9CCNT1
SCHEMBL1439362 0.88 CCNT1 (0.74) CDK9CCNT1
SCHEMBL1439503 0.88 CCNT1 (0.74) CDK9CCNT1
SCHEMBL10285515 0.86 CCNT1 (0.71) CDK9CCNT1
SCHEMBL10285635 0.84 CCNT1 (0.48) CDK9CCNT1CLK2CLK3DYRK1A
SCHEMBL1439478 0.84 CCNT1 (0.68) CDK9CCNT1
SCHEMBL10285401 0.84 CCNT1 (0.68) CDK9CCNT1
SCHEMBL10285737 0.82 CCNT1 (0.48) CDK9CCNT1CLK2CLK3DYRK1A

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 39/4885CLK2 967/4885

“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.