SCHEMBL1944753

SCHEMBL1944753

CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3cccc(F)n3)c(Cl)cn2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 9/20 0.54
CDK9 P50750 8/20 0.45
NTRK1 P04629 1/20 0.44
ABL1 P00519 2/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL1944749 1.00 CCNT1 (0.54) CCNT1CDK9NTRK1ABL1CDK4
SCHEMBL12501692 0.87 CDK9 (0.51) CCNT1CDK9NTRK1CDK4CDK2
SCHEMBL12501693 0.87 CDK9 (0.51) CCNT1CDK9NTRK1CDK4CDK2
SCHEMBL1462840 0.87 CCNT1 (0.57) CCNT1CDK9
SCHEMBL12501652 0.87 CDK9 (0.43) CCNT1CDK9ABL1CDK4CCNA2
SCHEMBL1947213 0.87 CCNT1 (0.74) CCNT1
SCHEMBL1465429 0.87 CCNT1 (0.74) CCNT1
SCHEMBL1465512 0.87 CCNT1 (0.74) CCNT1
SCHEMBL1462780 0.87 CDK9 (0.47) CCNT1CDK9ABL1CDK4CCNA2
SCHEMBL12501715 0.86 MAPK8 (0.44) CDK9NTRK1ABL1PARP1PARP2

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 4 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

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 5/4885NTRK1 3389/4885

“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.