SCHEMBL1441341

SCHEMBL1441341

COC(=O)C1CC(C(F)(F)F)CN(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
POLB P06746 1/20 0.34
PDK2 Q15119 2/20 0.34
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL16655183 0.83 SMN1; SMN2 (0.44) SMN1; SMN2BRD4ALDH1A1CHRNB2CHRNA4
SCHEMBL20281680 0.82 NR1H2 (0.43) SMN1; SMN2BRD4ALDH1A1
SCHEMBL17913756 0.80 JAK2 (0.33)
SCHEMBL17913758 0.80 RIPK1 (0.30)
SCHEMBL1581725 0.79 SMN1; SMN2 (0.47) SMN1; SMN2BRD4ALDH1A1CHRNB2CHRNA4
SCHEMBL14167702 0.77 ALDH1A1 (0.40) SMN1; SMN2BRD4ALDH1A1CHRNB2CHRNA4
SCHEMBL14638247 0.77 SMN1; SMN2 (0.40) SMN1; SMN2BRD4ALDH1A1CHRNB2CHRNA4
SCHEMBL1441286 0.76 HTT (0.49) SMN1; SMN2PDK2
SCHEMBL1440077 0.76 HTT (0.49) SMN1; SMN2PDK2
SCHEMBL21811379 0.76 SMN1; SMN2 (0.39) SMN1; SMN2BRD4ALDH1A1CHRNB2CHRNA4

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 11 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-2473502-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2012-07-11 EP disclosed
EP-2473505-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
EP-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 US disclosed
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 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-2011026917-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-10 WO disclosed
WO-2011026904-A1 PYRAZINYLPYRIDINES 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 (3 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-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors CDK2, CDK1, CDK6 SMN1; SMN2 2126/4885BRD4 451/4885ALDH1A1 1961/4885
US-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 SMN1; SMN2 2172/4885BRD4 550/4885ALDH1A1 1763/4885
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI SMN1; SMN2 2827/4885BRD4 121/4885ALDH1A1 1528/4885

“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.