SCHEMBL9950800

SCHEMBL9950800

NC(=O)c1cc(-c2cncc(Cl)n2)c(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.44
LMNA P02545 1/20 0.39
LCK P06239 1/20 0.36
NQO2 P16083 2/20 0.36
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 1/20 0.34
MC4R P32245 1/20 0.34
ADRA1A P35348 1/20 0.34
MC3R P41968 1/20 0.34
GRM2 Q14416 4/20 0.33
GRM5 P41594 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
CDK2 P24941 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL9949278 0.81 ADORA3 (0.50) SIRT6LMNAADORA3TSHRMC4R
SCHEMBL9949639 0.77 KDM4E (0.41) SIRT6CNR2
SCHEMBL9949605 0.77 CCNT1 (0.57) PIM1PIM2
SCHEMBL9950120 0.77 KDM4E (0.41) SIRT6CNR2
SCHEMBL9950802 0.76 CDK2 (0.47) CDK2PIM1PIM3PIM2
SCHEMBL9950504 0.76 CCNT1 (0.48) TSHRPIM1PIM2
SCHEMBL9950176 0.76 PIM1 (0.43) PIM1PIM2
SCHEMBL9949448 0.75 CCNT1 (0.55)
SCHEMBL9949992 0.74 CCNT1 (0.50)
SCHEMBL9950495 0.74 CCNT1 (0.49) GRM2

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 SIRT6 576/4885LMNA 2376/4885LCK 514/4885

“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.