SCHEMBL1946292

SCHEMBL1946292

CC1(C)CC(CNc2nc(-c3cc(N)ncc3Cl)ccc2F)CCO1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 17/20 0.54
CDK9 P50750 6/20 0.49
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CCNK O75909 2/20 0.40

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
SCHEMBL10181042 1.00 CCNT1 (0.54) CCNT1CDK9KDM4EALDH1A1GAA
SCHEMBL1464622 0.92 CCNT1 (0.55) CCNT1CDK9KDM4EALDH1A1GAA
SCHEMBL1463086 0.87 CCNT1 (0.66) CCNT1CDK9CCNK
SCHEMBL1463721 0.83 CCNT1 (0.55) CCNT1CDK9
SCHEMBL1947398 0.83 CCNT1 (0.55) CCNT1CDK9
SCHEMBL1462699 0.83 CCNT1 (0.55) CCNT1CDK9
SCHEMBL1463089 0.82 CCNT1 (0.46) CCNT1CDK9
SCHEMBL10179312 0.82 CCNT1 (0.46) CCNT1CDK9
SCHEMBL12466061 0.80 CDK9 (0.59) CCNT1CDK9CCNK
SCHEMBL12467610 0.80 CDK9 (0.59) CCNT1CDK9CCNK

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
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

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 5/4885KDM4E 854/4885

“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.