SCHEMBL1225532

SCHEMBL1225532

Nc1cc(-c2cccc(NCC3CCOCC3)n2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 14/20 0.52
CDK9 P50750 3/20 0.52
IRAK4 Q9NWZ3 3/20 0.49
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
MAP4K4 O95819 1/20 0.43
HIF1A Q16665 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL1461815 0.86 CCNT1 (0.52) CCNT1CDK9IRAK4PIM1PIM2
SCHEMBL12501654 0.83 CCNT1 (0.49) CCNT1CDK9PIM1PIM2MAP4K4
SCHEMBL1462763 0.80 CCNT1 (0.71) CCNT1CDK9PIM1PIM2
SCHEMBL10179383 0.80 CCNT1 (0.48) CCNT1CDK9IRAK4MAP4K4HIF1A
SCHEMBL1463033 0.79 CCNT1 (0.68) CCNT1CDK9
SCHEMBL29632554 0.79 KCNH3 (0.48) CCNT1CDK9PIM1PIM2HIF1A
SCHEMBL15850267 0.78 CCNT1 (0.48) CCNT1CDK9IRAK4PIM1PIM3
SCHEMBL22023299 0.75 KCNH3 (0.44) CCNT1CDK9HIF1AKCNH2
SCHEMBL1946510 0.74 CDK9 (0.59) CCNT1CDK9IRAK4
SCHEMBL1224586 0.74 CCNT1 (0.55) CCNT1CDK9IRAK4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101064-A1 N-ACYL PYRIMIDINE BIARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101063-A1 N-ACYL PYRIDINE BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
EP-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
EP-2459535-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS Novartis AG (CH) 2012-06-06 EP disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 US disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 US disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 US disclosed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 WO disclosed
WO-2011012661-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2011-02-03 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-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 CCNT1 47/4885CDK9 5/4885IRAK4 1446/4885

“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.