SCHEMBL9949608

SCHEMBL9949608

Nc1cc(-c2cncc(NCC3CC3)n2)c(Cl)cn1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 16/20 0.60
CCNK O75909 1/20 0.46
CDK9 P50750 1/20 0.46
PIM1 P11309 3/20 0.45
PIM2 Q9P1W9 3/20 0.45
PIM3 Q86V86 2/20 0.45

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
SCHEMBL1439308 0.92 CCNT1 (0.71) CCNT1CCNKCDK9
SCHEMBL9950150 0.86 CCNT1 (0.57) CCNT1CCNKCDK9
SCHEMBL9950550 0.83 CCNT1 (0.56) CCNT1
SCHEMBL9949245 0.83 CCNT1 (0.56) CCNT1
SCHEMBL9949605 0.82 CCNT1 (0.57) CCNT1CCNKCDK9PIM1PIM2
SCHEMBL9949801 0.82 CCNT1 (0.53) CCNT1
SCHEMBL12827079 0.80 CCNT1 (0.70) CCNT1
SCHEMBL10179377 0.80 CCNT1 (0.70) CCNT1
SCHEMBL1463033 0.78 CCNT1 (0.68) CCNT1CDK9
SCHEMBL1440248 0.78 CCNT1 (0.56) CCNT1CCNKCDK9PIM1PIM2

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 CCNT1 39/4885CCNK 23/4885CDK9 16/4885

“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.