SCHEMBL1461815

SCHEMBL1461815

Fc1cc(-c2cccc(NCC3CCOCC3)n2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 13/20 0.52
CDK9 P50750 4/20 0.52
IRAK4 Q9NWZ3 2/20 0.47
CCNK O75909 1/20 0.44
PIM1 P11309 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
HIF1A Q16665 1/20 0.43
USP30 Q70CQ3 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
SCHEMBL1225532 0.86 CCNT1 (0.52) CCNT1CDK9IRAK4PIM1PIM2
SCHEMBL1224586 0.84 CCNT1 (0.55) CCNT1CDK9IRAK4USP30
SCHEMBL1192322 0.81 CCNT1 (0.69) CCNT1CDK9CCNKPIM1PIM2
SCHEMBL1192532 0.79 CCNT1 (0.72) CCNT1CDK9CCNK
SCHEMBL1224755 0.78 CCNT1 (0.55) CCNT1CDK9CCNKPIM1PIM2
SCHEMBL15850267 0.74 CCNT1 (0.48) CCNT1CDK9IRAK4PIM1PIM2
SCHEMBL1946510 0.74 CDK9 (0.59) CCNT1CDK9IRAK4
SCHEMBL12501654 0.74 CCNT1 (0.49) CCNT1CDK9PIM1PIM2
SCHEMBL1461959 0.73 CCNT1 (0.50) CCNT1CDK9CCNKPIM1PIM2
SCHEMBL1226291 0.73 CCNT1 (0.52) 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 5 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
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

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.