SCHEMBL9949452

SCHEMBL9949452

Nc1cc(-c2cncc(NCc3cccnc3)n2)c(Cl)cn1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 7/20 0.59
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CDK9 P50750 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FYN P06241 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
CYP2C19 P33261 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
LTA4H P09960 1/20 0.43

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
SCHEMBL9949449 0.84 CCNT1 (0.51) CCNT1CYP1A2CYP3A4CDK9
SCHEMBL9950496 0.83 CCNT1 (0.63) CCNT1FYN
SCHEMBL9949998 0.83 CCNT1 (0.63) CCNT1
SCHEMBL9949473 0.82 CCNT1 (0.51) CCNT1MEN1KMT2AFYN
SCHEMBL9949837 0.79 CCNT1 (0.59) CCNT1FYN
SCHEMBL9949770 0.79 CCNT1 (0.55) CCNT1CYP1A2CYP3A4CDK9MEN1
SCHEMBL12850433 0.78 CCNT1 (0.72) CCNT1
SCHEMBL13101037 0.77 MEN1 (0.58) CYP1A2CYP3A4MEN1KMT2AFYN
SCHEMBL1678795 0.75 LTA4H (0.53) CYP1A2CYP3A4MEN1KMT2AKDM4C
SCHEMBL1462626 0.74 CCNT1 (1.00) CCNT1

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 39/4885CYP1A2 2152/4885CYP3A4 2968/4885

“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.